N-[3-(azepan-1-ylsulfonyl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C22H25N3O4S2/c26-21-10-13-30-20-9-8-16(14-19(20)24-21)22(27)23-17-6-5-7-18(15-17)31(28,29)25-11-3-1-2-4-12-25/h5-9,14-15H,1-4,10-13H2,(H,23,27)(H,24,26)