1-(3-chlorophenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazine

Systemtic Name: 1-(3-chlorophenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazine Openeye Name: 1-(3-chlorophenyl)-4-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperazine CAS Name: 1-(3-chlorophenyl)-4-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]piperazine IUPAC Name: 1-(3-chlorophenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperazine Traditional Name: 1-(3-chlorophenyl)-4-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]piperazine Formula: C22H27ClN4O4S MolecularWeight: 478.99218

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC(=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC(=CC=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H27ClN4O4S/c1-17-7-9-26(10-8-17)32(30,31)20-5-6-21(22(16-20)27(28)29)25-13-11-24(12-14-25)19-4-2-3-18(23)15-19/h2-6,15-17H,7-14H2,1H3