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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)CN2CCCC2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)CN2CCCC2)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)22-14-17-4-6-18(7-5-17)15-23-12-2-3-13-23/h4-11,16H,2-3,12-15H2,1H3,(H,22,25)/t16-/m1/s1