dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(4-morpholin-4-ylsulfonylphenyl)carbonyl-amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(4-morpholin-4-ylsulfonylphenyl)carbonyl-amino]ethyl]azanium Openeye Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(4-morpholinosulfonylbenzoyl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(4-morpholin-4-ylsulfonylbenzoyl)amino]ethyl]azanium Traditional Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(4-morpholinosulfonylbenzoyl)amino]ethyl]ammonium Formula: C23H29N4O4S2+ MolecularWeight: 489.63076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H28N4O4S2/c1-17-5-4-6-20-21(17)24-23(32-20)27(12-11-25(2)3)22(28)18-7-9-19(10-8-18)33(29,30)26-13-15-31-16-14-26/h4-10H,11-16H2,1-3H3/p+1