7-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C20H20N4O6S2 MolecularWeight: 476.526

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])NC1=O

InChI

InChI=1S/C20H20N4O6S2/c25-19-6-11-31-18-5-4-14(12-17(18)21-19)20(26)22-7-9-23(10-8-22)32(29,30)16-3-1-2-15(13-16)24(27)28/h1-5,12-13H,6-11H2,(H,21,25)