3-(butylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxy-5-sulfamoyl-benzamide

Systemtic Name: 3-(butylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxy-5-sulfamoyl-benzamide Openeye Name: 3-(butylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxy-5-sulfamoyl-benzamide CAS Name: 3-(butylamino)-N-[2-(4-methyl-1-piperazinyl)ethyl]-4-phenoxy-5-sulfamoylbenzamide IUPAC Name: 3-(butylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxy-5-sulfamoylbenzamide Traditional Name: 3-(butylamino)-N-[2-(4-methylpiperazino)ethyl]-4-phenoxy-5-sulfamoyl-benzamide Formula: C24H35N5O4S MolecularWeight: 489.6308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)NCCN2CCN(CC2)C)S(=O)(=O)N)OC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)NCCN2CCN(CC2)C)S(=O)(=O)N)OC3=CC=CC=C3

InChI

InChI=1S/C24H35N5O4S/c1-3-4-10-26-21-17-19(24(30)27-11-12-29-15-13-28(2)14-16-29)18-22(34(25,31)32)23(21)33-20-8-6-5-7-9-20/h5-9,17-18,26H,3-4,10-16H2,1-2H3,(H,27,30)(H2,25,31,32)