N-(2-methyl-4-nitro-phenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-3-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: N-(2-methyl-4-nitrophenyl)-3-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-(2-methyl-4-nitro-phenyl)-3-(4-piperidinosulfonylphenyl)propionamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25N3O5S/c1-16-15-18(24(26)27)8-11-20(16)22-21(25)12-7-17-5-9-19(10-6-17)30(28,29)23-13-3-2-4-14-23/h5-6,8-11,15H,2-4,7,12-14H2,1H3,(H,22,25)