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

Systemtic Name: 4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide Openeye Name: 4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide CAS Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[[4-(1-pyrrolidinyl)phenyl]methyl]benzamide IUPAC Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide Traditional Name: 4-[(N-mesyl-3,4-dimethyl-anilino)methyl]-N-(4-pyrrolidinobenzyl)benzamide Formula: C28H33N3O3S MolecularWeight: 491.64492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)N4CCCC4)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)N4CCCC4)S(=O)(=O)C)C

InChI

InChI=1S/C28H33N3O3S/c1-21-6-13-27(18-22(21)2)31(35(3,33)34)20-24-7-11-25(12-8-24)28(32)29-19-23-9-14-26(15-10-23)30-16-4-5-17-30/h6-15,18H,4-5,16-17,19-20H2,1-3H3,(H,29,32)