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

Systemtic Name: 7-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H22N4O6S2/c1-14-2-4-16(25(28)29)13-19(14)33(30,31)24-9-7-23(8-10-24)21(27)15-3-5-18-17(12-15)22-20(26)6-11-32-18/h2-5,12-13H,6-11H2,1H3,(H,22,26)