2-(4-nitrophenyl)sulfanyl-N-(4-pyrrolidin-1-ylcarbonylphenyl)propanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-(4-pyrrolidin-1-ylcarbonylphenyl)propanamide Openeye Name: 2-(4-nitrophenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide CAS Name: 2-[(4-nitrophenyl)thio]-N-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]propanamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide Traditional Name: 2-[(4-nitrophenyl)thio]-N-[4-(pyrrolidine-1-carbonyl)phenyl]propionamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N2CCCC2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N2CCCC2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c1-14(28-18-10-8-17(9-11-18)23(26)27)19(24)21-16-6-4-15(5-7-16)20(25)22-12-2-3-13-22/h4-11,14H,2-3,12-13H2,1H3,(H,21,24)