N-[1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-3-phenyl-propanamide

Systemtic Name: N-[1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-3-phenyl-propanamide Openeye Name: N-[1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-3-phenyl-propanamide CAS Name: N-[1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-3-phenylpropanamide IUPAC Name: N-[1-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperidin-4-yl]-3-phenylpropanamide Traditional Name: N-[1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-3-phenyl-propionamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC(CC2)NC(=O)CCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC(CC2)NC(=O)CCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5S/c1-16-14-20(25(27)28)15-21(17(16)2)31(29,30)24-12-10-19(11-13-24)23-22(26)9-8-18-6-4-3-5-7-18/h3-7,14-15,19H,8-13H2,1-2H3,(H,23,26)