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

Systemtic Name: 4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-[2-[1-(phenylmethyl)imidazol-2-yl]ethyl]aniline Openeye Name: N-[2-(1-benzylimidazol-2-yl)ethyl]-4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitro-N-[2-[1-(phenylmethyl)-2-imidazolyl]ethyl]aniline IUPAC Name: N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitroaniline Traditional Name: 2-(1-benzylimidazol-2-yl)ethyl-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C24H29N5O4S MolecularWeight: 483.58316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=NC=CN3CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=NC=CN3CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H29N5O4S/c1-19-10-14-28(15-11-19)34(32,33)21-7-8-22(23(17-21)29(30)31)25-12-9-24-26-13-16-27(24)18-20-5-3-2-4-6-20/h2-8,13,16-17,19,25H,9-12,14-15,18H2,1H3