methyl 2-[2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-6-methoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-6-methoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C24H27N3O6S2 MolecularWeight: 517.61768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)S2)CC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)S2)CC(=O)OC

InChI

InChI=1S/C24H27N3O6S2/c1-32-18-9-12-20-21(15-18)34-24(27(20)16-22(28)33-2)25-23(29)17-7-10-19(11-8-17)35(30,31)26-13-5-3-4-6-14-26/h7-12,15H,3-6,13-14,16H2,1-2H3