methyl 2-[2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-[(2-ethyl-1-piperidyl)sulfonyl]benzoyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(2-ethylpiperidin-1-yl)sulfonylbenzoyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(2-ethylpiperidino)sulfonylbenzoyl]imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C25H29N3O7S3 MolecularWeight: 579.70866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)C)CC(=O)OC

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)C)CC(=O)OC

InChI

InChI=1S/C25H29N3O7S3/c1-4-18-7-5-6-14-28(18)38(33,34)19-10-8-17(9-11-19)24(30)26-25-27(16-23(29)35-2)21-13-12-20(37(3,31)32)15-22(21)36-25/h8-13,15,18H,4-7,14,16H2,1-3H3