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

Systemtic Name: 2-[methylsulfonyl-(3-nitrophenyl)amino]-N-[(4-piperidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)-N-[[4-(1-piperidyl)phenyl]methyl]acetamide CAS Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-[[4-(1-piperidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-(4-piperidinobenzyl)acetamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCCCC2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCCCC2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-31(29,30)24(19-6-5-7-20(14-19)25(27)28)16-21(26)22-15-17-8-10-18(11-9-17)23-12-3-2-4-13-23/h5-11,14H,2-4,12-13,15-16H2,1H3,(H,22,26)