1-[(2-methylphenyl)methyl]-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazine

Systemtic Name: 1-[(2-methylphenyl)methyl]-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazine Openeye Name: 1-[2-nitro-4-(1-piperidylsulfonyl)phenyl]-4-(o-tolylmethyl)piperazine CAS Name: 1-[(2-methylphenyl)methyl]-4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]piperazine IUPAC Name: 1-[(2-methylphenyl)methyl]-4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazine Traditional Name: 1-(2-methylbenzyl)-4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazine Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O4S/c1-19-7-3-4-8-20(19)18-24-13-15-25(16-14-24)22-10-9-21(17-23(22)27(28)29)32(30,31)26-11-5-2-6-12-26/h3-4,7-10,17H,2,5-6,11-16,18H2,1H3