2-[(3-bromophenyl)-(phenylsulfonyl)amino]-N-[3-(4-methylpiperazin-1-yl)propyl]ethanamide

Systemtic Name: 2-[(3-bromophenyl)-(phenylsulfonyl)amino]-N-[3-(4-methylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-bromo-anilino]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[3-(4-methyl-1-piperazinyl)propyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-(N-besyl-3-bromo-anilino)-N-[3-(4-methylpiperazino)propyl]acetamide Formula: C22H29BrN4O3S MolecularWeight: 509.45966

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29BrN4O3S/c1-25-13-15-26(16-14-25)12-6-11-24-22(28)18-27(20-8-5-7-19(23)17-20)31(29,30)21-9-3-2-4-10-21/h2-5,7-10,17H,6,11-16,18H2,1H3,(H,24,28)