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

Systemtic Name: 2-[(3-bromophenyl)-(phenylsulfonyl)amino]-N-(3-piperidin-1-ylpropyl)ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-bromo-anilino]-N-[3-(1-piperidyl)propyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[3-(1-piperidinyl)propyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(3-piperidin-1-ylpropyl)acetamide Traditional Name: 2-(N-besyl-3-bromo-anilino)-N-(3-piperidinopropyl)acetamide Formula: C22H28BrN3O3S MolecularWeight: 494.44502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCNC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)CCCNC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H28BrN3O3S/c23-19-9-7-10-20(17-19)26(30(28,29)21-11-3-1-4-12-21)18-22(27)24-13-8-16-25-14-5-2-6-15-25/h1,3-4,7,9-12,17H,2,5-6,8,13-16,18H2,(H,24,27)