N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-3-(2-nitroanilino)propanamide CAS Name: N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(2-nitroanilino)propanamide Traditional Name: N-[4-(3-methylpiperidino)sulfonylphenyl]-3-(2-nitroanilino)propionamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-16-5-4-14-24(15-16)31(29,30)18-10-8-17(9-11-18)23-21(26)12-13-22-19-6-2-3-7-20(19)25(27)28/h2-3,6-11,16,22H,4-5,12-15H2,1H3,(H,23,26)