N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(C1=CC=C(C=C1)OC)N2CCCCC2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC(C1=CC=C(C=C1)OC)N2CCCCC2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O4S/c1-17(31-21-12-8-19(9-13-21)26(28)29)23(27)24-16-22(25-14-4-3-5-15-25)18-6-10-20(30-2)11-7-18/h6-13,17,22H,3-5,14-16H2,1-2H3,(H,24,27)