1-[(3-methylphenyl)methyl]-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazine

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazine Openeye Name: 1-(m-tolylmethyl)-4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazine CAS Name: 1-[(3-methylphenyl)methyl]-4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]piperazine IUPAC Name: 1-[(3-methylphenyl)methyl]-4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazine Traditional Name: 1-(3-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=C1)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O4S/c1-19-6-5-7-20(16-19)18-24-12-14-25(15-13-24)22-9-8-21(17-23(22)27(28)29)32(30,31)26-10-3-2-4-11-26/h5-9,16-17H,2-4,10-15,18H2,1H3