N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[2-[4-(m-tolyl)piperazin-1-yl]ethyl]-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[2-[4-(3-methylphenyl)-1-piperazinyl]ethyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: 2-[4-(m-tolyl)piperazino]ethyl-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C24H33N5O4S MolecularWeight: 487.61492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCNC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCNC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H33N5O4S/c1-20-6-5-7-21(18-20)27-16-14-26(15-17-27)13-10-25-23-9-8-22(19-24(23)29(30)31)34(32,33)28-11-3-2-4-12-28/h5-9,18-19,25H,2-4,10-17H2,1H3