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

Systemtic Name: 2-[(3-bromophenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-(3-bromo-N-methylsulfonyl-anilino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide CAS Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[3-(4-methyl-1-piperazinyl)propyl]acetamide IUPAC Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-(3-bromo-N-mesyl-anilino)-N-[3-(4-methylpiperazino)propyl]acetamide Formula: C17H27BrN4O3S MolecularWeight: 447.39028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27BrN4O3S/c1-20-9-11-21(12-10-20)8-4-7-19-17(23)14-22(26(2,24)25)16-6-3-5-15(18)13-16/h3,5-6,13H,4,7-12,14H2,1-2H3,(H,19,23)