4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide

Systemtic Name: 4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide Openeye Name: 4-[(3-chloro-N-methylsulfonyl-anilino)methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide CAS Name: 4-[(3-chloro-N-methylsulfonylanilino)methyl]-N-[[4-(1-pyrrolidinyl)phenyl]methyl]benzamide IUPAC Name: 4-[(3-chloro-N-methylsulfonylanilino)methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide Traditional Name: 4-[(3-chloro-N-mesyl-anilino)methyl]-N-(4-pyrrolidinobenzyl)benzamide Formula: C26H28ClN3O3S MolecularWeight: 498.03682

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)N3CCCC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)N3CCCC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H28ClN3O3S/c1-34(32,33)30(25-6-4-5-23(27)17-25)19-21-7-11-22(12-8-21)26(31)28-18-20-9-13-24(14-10-20)29-15-2-3-16-29/h4-14,17H,2-3,15-16,18-19H2,1H3,(H,28,31)