2-[methylsulfonyl-(3-nitrophenyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[methylsulfonyl-(3-nitrophenyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-(4-pyrrolidinobenzyl)acetamide Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCCC2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCCC2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5S/c1-30(28,29)23(18-5-4-6-19(13-18)24(26)27)15-20(25)21-14-16-7-9-17(10-8-16)22-11-2-3-12-22/h4-10,13H,2-3,11-12,14-15H2,1H3,(H,21,25)