N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-3-(2-nitroanilino)propanamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-(2-nitroanilino)propanamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-3-(2-nitroanilino)propionamide 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)CCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-16-9-10-17(31(29,30)24-13-5-2-6-14-24)15-19(16)23-21(26)11-12-22-18-7-3-4-8-20(18)25(27)28/h3-4,7-10,15,22H,2,5-6,11-14H2,1H3,(H,23,26)