4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]-1,2,3,5-tetrahydro-1,4-benzodiazepine

Systemtic Name: 4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]-1,2,3,5-tetrahydro-1,4-benzodiazepine Openeye Name: 4-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]-1,2,3,5-tetrahydro-1,4-benzodiazepine CAS Name: 4-[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-1,2,3,5-tetrahydro-1,4-benzodiazepine IUPAC Name: 4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]-1,2,3,5-tetrahydro-1,4-benzodiazepine Traditional Name: 4-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]-1,2,3,5-tetrahydro-1,4-benzodiazepine Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCNC4=CC=CC=C4C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCNC4=CC=CC=C4C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4S/c1-16-5-4-11-24(14-16)30(28,29)18-8-9-20(21(13-18)25(26)27)23-12-10-22-19-7-3-2-6-17(19)15-23/h2-3,6-9,13,16,22H,4-5,10-12,14-15H2,1H3