(2R)-2-(4-nitrophenyl)sulfanyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: (2R)-2-(4-nitrophenyl)sulfanyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: (2R)-2-(4-nitrophenyl)sulfanyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide CAS Name: (2R)-2-[(4-nitrophenyl)thio]-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]propanamide IUPAC Name: (2R)-2-(4-nitrophenyl)sulfanyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: (2R)-2-[(4-nitrophenyl)thio]-N-[2-(pyrrolidinomethyl)benzyl]propionamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1CN2CCCC2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1CN2CCCC2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3S/c1-16(28-20-10-8-19(9-11-20)24(26)27)21(25)22-14-17-6-2-3-7-18(17)15-23-12-4-5-13-23/h2-3,6-11,16H,4-5,12-15H2,1H3,(H,22,25)/t16-/m1/s1