N-[1-[2-(4-nitrophenyl)sulfanylpropanoyl]piperidin-4-yl]-3-phenyl-propanamide

Systemtic Name: N-[1-[2-(4-nitrophenyl)sulfanylpropanoyl]piperidin-4-yl]-3-phenyl-propanamide Openeye Name: N-[1-[2-(4-nitrophenyl)sulfanylpropanoyl]-4-piperidyl]-3-phenyl-propanamide CAS Name: N-[1-[2-[(4-nitrophenyl)thio]-1-oxopropyl]-4-piperidinyl]-3-phenylpropanamide IUPAC Name: N-[1-[2-(4-nitrophenyl)sulfanylpropanoyl]piperidin-4-yl]-3-phenylpropanamide Traditional Name: N-[1-[2-[(4-nitrophenyl)thio]propanoyl]-4-piperidyl]-3-phenyl-propionamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)NC(=O)CCC2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCC(CC1)NC(=O)CCC2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O4S/c1-17(31-21-10-8-20(9-11-21)26(29)30)23(28)25-15-13-19(14-16-25)24-22(27)12-7-18-5-3-2-4-6-18/h2-6,8-11,17,19H,7,12-16H2,1H3,(H,24,27)