2-[(2-methyl-3-nitro-phenyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(2-methyl-3-nitro-phenyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(2-methyl-3-nitro-anilino)-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(2-methyl-3-nitroanilino)-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(2-methyl-3-nitroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(2-methyl-3-nitro-anilino)-N-(2-methyl-5-piperidinosulfonyl-phenyl)acetamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CNC3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CNC3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H26N4O5S/c1-15-9-10-17(31(29,30)24-11-4-3-5-12-24)13-19(15)23-21(26)14-22-18-7-6-8-20(16(18)2)25(27)28/h6-10,13,22H,3-5,11-12,14H2,1-2H3,(H,23,26)