2-[(3-bromophenyl)-(phenylsulfonyl)amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide

Systemtic Name: 2-[(3-bromophenyl)-(phenylsulfonyl)amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-bromo-anilino]-N-(3-pyrrolidin-1-ylpropyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[3-(1-pyrrolidinyl)propyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(3-pyrrolidin-1-ylpropyl)acetamide Traditional Name: 2-(N-besyl-3-bromo-anilino)-N-(3-pyrrolidinopropyl)acetamide Formula: C21H26BrN3O3S MolecularWeight: 480.41844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)CCCNC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26BrN3O3S/c22-18-8-6-9-19(16-18)25(29(27,28)20-10-2-1-3-11-20)17-21(26)23-12-7-15-24-13-4-5-14-24/h1-3,6,8-11,16H,4-5,7,12-15,17H2,(H,23,26)