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

Systemtic Name: 2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide Openeye Name: 2-[3-bromo-N-(p-tolylsulfonyl)anilino]-N-(3-pyrrolidin-1-ylpropyl)acetamide CAS Name: 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[3-(1-pyrrolidinyl)propyl]acetamide IUPAC Name: 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3-pyrrolidin-1-ylpropyl)acetamide Traditional Name: 2-(3-bromo-N-tosyl-anilino)-N-(3-pyrrolidinopropyl)acetamide Formula: C22H28BrN3O3S MolecularWeight: 494.44502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCC2)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCC2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H28BrN3O3S/c1-18-8-10-21(11-9-18)30(28,29)26(20-7-4-6-19(23)16-20)17-22(27)24-12-5-15-25-13-2-3-14-25/h4,6-11,16H,2-3,5,12-15,17H2,1H3,(H,24,27)