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

Systemtic Name: methyl 2-[6-acetamido-2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C25H28N4O6S2 MolecularWeight: 544.64302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)S2)CC(=O)OC

InChI

InChI=1S/C25H28N4O6S2/c1-17(30)26-19-9-12-21-22(15-19)36-25(29(21)16-23(31)35-2)27-24(32)18-7-10-20(11-8-18)37(33,34)28-13-5-3-4-6-14-28/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,26,30)