4-(2-chlorophenyl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitro-benzamide

Systemtic Name: 4-(2-chlorophenyl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitro-benzamide Openeye Name: 4-(2-chlorophenyl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitro-benzamide CAS Name: 4-[(2-chlorophenyl)thio]-N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-nitrobenzamide IUPAC Name: 4-(2-chlorophenyl)sulfanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitrobenzamide Traditional Name: 4-[(2-chlorophenyl)thio]-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitro-benzamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CCN1CCCC1CNC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O3S/c1-2-23-11-5-6-15(23)13-22-20(25)14-9-10-19(17(12-14)24(26)27)28-18-8-4-3-7-16(18)21/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3,(H,22,25)