1-[5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]azepane

Systemtic Name: 1-[5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]azepane Openeye Name: 1-[5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]azepane CAS Name: 1-[5-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]azepane IUPAC Name: 1-[5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]azepane Traditional Name: 1-[5-[4-(4-chlorophenyl)sulfonylpiperazino]-2-nitro-phenyl]azepane Formula: C22H27ClN4O4S MolecularWeight: 478.99218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H27ClN4O4S/c23-18-5-8-20(9-6-18)32(30,31)26-15-13-24(14-16-26)19-7-10-21(27(28)29)22(17-19)25-11-3-1-2-4-12-25/h5-10,17H,1-4,11-16H2