2-[methylsulfonyl-(3-nitrophenyl)amino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[methylsulfonyl-(3-nitrophenyl)amino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)-N-[[4-(1-piperidylmethyl)phenyl]methyl]acetamide CAS Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-[[4-(1-piperidinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-[4-(piperidinomethyl)benzyl]acetamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)CN2CCCCC2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)CN2CCCCC2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O5S/c1-32(30,31)25(20-6-5-7-21(14-20)26(28)29)17-22(27)23-15-18-8-10-19(11-9-18)16-24-12-3-2-4-13-24/h5-11,14H,2-4,12-13,15-17H2,1H3,(H,23,27)