2-[(3,5-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[3,5-dimethyl-N-(p-tolylsulfonyl)anilino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(3,5-dimethyl-N-tosyl-anilino)-N-(4-pyrrolidinobenzyl)acetamide Formula: C28H33N3O3S MolecularWeight: 491.64492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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