[2-[(E,3Z)-3-[5-chloranyl-3-(sulfonatomethyl)-1,3-benzoxazol-2-ylidene]prop-1-enyl]-3-ethyl-6-morpholin-4-ylsulfonyl-benzimidazol-3-ium-1-yl]methanesulfonate

Systemtic Name: [2-[(E,3Z)-3-[5-chloranyl-3-(sulfonatomethyl)-1,3-benzoxazol-2-ylidene]prop-1-enyl]-3-ethyl-6-morpholin-4-ylsulfonyl-benzimidazol-3-ium-1-yl]methanesulfonate Openeye Name: [2-[(E,3Z)-3-[5-chloro-3-(sulfonatomethyl)-1,3-benzoxazol-2-ylidene]prop-1-enyl]-3-ethyl-6-morpholinosulfonyl-benzimidazol-3-ium-1-yl]methanesulfonate CAS Name: [2-[(E,3Z)-3-[5-chloro-3-(sulfonatomethyl)-1,3-benzoxazol-2-ylidene]prop-1-enyl]-3-ethyl-6-(4-morpholinylsulfonyl)-1-benzimidazol-3-iumyl]methanesulfonate IUPAC Name: [2-[(E,3Z)-3-[5-chloro-3-(sulfonatomethyl)-1,3-benzoxazol-2-ylidene]prop-1-enyl]-3-ethyl-6-morpholin-4-ylsulfonylbenzimidazol-3-ium-1-yl]methanesulfonate Traditional Name: [2-[(E,3Z)-3-[5-chloro-3-(sulfonatomethyl)-1,3-benzoxazol-2-ylidene]prop-1-enyl]-3-ethyl-6-morpholinosulfonyl-benzimidazol-3-ium-1-yl]methanesulfonate Formula: C25H26ClN4O10S3- MolecularWeight: 674.14274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)CS(=O)(=O)[O-])C=CC=C4N(C5=C(O4)C=CC(=C5)Cl)CS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)CS(=O)(=O)[O-])/C=C/C=C\4/N(C5=C(O4)C=CC(=C5)Cl)CS(=O)(=O)[O-]

InChI

InChI=1S/C25H27ClN4O10S3/c1-2-28-20-8-7-19(43(37,38)27-10-12-39-13-11-27)15-21(20)29(16-41(31,32)33)24(28)4-3-5-25-30(17-42(34,35)36)22-14-18(26)6-9-23(22)40-25/h3-9,14-15H,2,10-13,16-17H2,1H3,(H-,31,32,33,34,35,36)/p-1