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

Systemtic Name: 2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[3-bromo-N-(p-tolylsulfonyl)anilino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(3-bromo-N-tosyl-anilino)-N-(4-pyrrolidinobenzyl)acetamide Formula: C26H28BrN3O3S MolecularWeight: 542.48782

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H28BrN3O3S/c1-20-7-13-25(14-8-20)34(32,33)30(24-6-4-5-22(27)17-24)19-26(31)28-18-21-9-11-23(12-10-21)29-15-2-3-16-29/h4-14,17H,2-3,15-16,18-19H2,1H3,(H,28,31)