N-(5-cyclopropyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanamide

Systemtic Name: N-(5-cyclopropyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: N-(5-cyclopropyl-6-oxo-benzo[b][1,4]benzothiazepin-2-yl)-2-(p-tolylsulfonylamino)propanamide CAS Name: N-(5-cyclopropyl-6-oxo-2-benzo[b][1,4]benzothiazepinyl)-2-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: N-(5-cyclopropyl-6-oxobenzo[b][1,4]benzothiazepin-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: N-(5-cyclopropyl-6-keto-benzo[b][1,4]benzothiazepin-2-yl)-2-(tosylamino)propionamide Formula: C26H25N3O4S2 MolecularWeight: 507.6244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NC2=CC3=C(C=C2)N(C(=O)C4=CC=CC=C4S3)C5CC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NC2=CC3=C(C=C2)N(C(=O)C4=CC=CC=C4S3)C5CC5

InChI

InChI=1S/C26H25N3O4S2/c1-16-7-12-20(13-8-16)35(32,33)28-17(2)25(30)27-18-9-14-22-24(15-18)34-23-6-4-3-5-21(23)26(31)29(22)19-10-11-19/h3-9,12-15,17,19,28H,10-11H2,1-2H3,(H,27,30)