4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-[2-(4-phenylpiperazin-1-yl)ethyl]aniline

Systemtic Name: 4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-[2-(4-phenylpiperazin-1-yl)ethyl]aniline Openeye Name: 4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-N-[2-(4-phenylpiperazin-1-yl)ethyl]aniline CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitro-N-[2-(4-phenyl-1-piperazinyl)ethyl]aniline IUPAC Name: 4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-[2-(4-phenylpiperazin-1-yl)ethyl]aniline Traditional Name: [4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]-[2-(4-phenylpiperazino)ethyl]amine Formula: C24H33N5O4S MolecularWeight: 487.61492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCN3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCN3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H33N5O4S/c1-20-9-12-28(13-10-20)34(32,33)22-7-8-23(24(19-22)29(30)31)25-11-14-26-15-17-27(18-16-26)21-5-3-2-4-6-21/h2-8,19-20,25H,9-18H2,1H3