N-methyl-2-(4-nitrophenyl)sulfanyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide

Systemtic Name: N-methyl-2-(4-nitrophenyl)sulfanyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide Openeye Name: N-methyl-2-(4-nitrophenyl)sulfanyl-N-[[2-(1-piperidyl)phenyl]methyl]propanamide CAS Name: N-methyl-2-[(4-nitrophenyl)thio]-N-[[2-(1-piperidinyl)phenyl]methyl]propanamide IUPAC Name: N-methyl-2-(4-nitrophenyl)sulfanyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide Traditional Name: N-methyl-2-[(4-nitrophenyl)thio]-N-(2-piperidinobenzyl)propionamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1N2CCCCC2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N(C)CC1=CC=CC=C1N2CCCCC2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O3S/c1-17(29-20-12-10-19(11-13-20)25(27)28)22(26)23(2)16-18-8-4-5-9-21(18)24-14-6-3-7-15-24/h4-5,8-13,17H,3,6-7,14-16H2,1-2H3