4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-N-[2-[1-(phenylmethyl)imidazol-2-yl]ethyl]aniline

Systemtic Name: 4-(3-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-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: 4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitro-N-[2-[1-(phenylmethyl)-2-imidazolyl]ethyl]aniline IUPAC Name: N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitroaniline Traditional Name: 2-(1-benzylimidazol-2-yl)ethyl-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C24H29N5O4S MolecularWeight: 483.58316

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=NC=CN3CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=NC=CN3CC4=CC=CC=C4)[N+](=O)[O-]

InChI

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