N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-3-(2-nitroanilino)propanamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-(2-nitroanilino)propanamide Traditional Name: N-(4-methyl-3-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)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

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