4-(4-methylpiperazin-1-yl)-N1,N3-bis(2-methylpropyl)-6-[(phenylmethyl)amino]benzene-1,3-disulfonamide

Systemtic Name: 4-(4-methylpiperazin-1-yl)-N1,N3-bis(2-methylpropyl)-6-[(phenylmethyl)amino]benzene-1,3-disulfonamide Openeye Name: 4-(benzylamino)-N1,N3-diisobutyl-6-(4-methylpiperazin-1-yl)benzene-1,3-disulfonamide CAS Name: 4-(4-methyl-1-piperazinyl)-N1,N3-bis(2-methylpropyl)-6-[(phenylmethyl)amino]benzene-1,3-disulfonamide IUPAC Name: 4-(benzylamino)-6-(4-methylpiperazin-1-yl)-1-N,3-N-bis(2-methylpropyl)benzene-1,3-disulfonamide Traditional Name: 4-(benzylamino)-N,N'-diisobutyl-6-(4-methylpiperazino)benzene-1,3-disulfonamide Formula: C26H41N5O4S2 MolecularWeight: 551.76484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNS(=O)(=O)C1=CC(=C(C=C1N2CCN(CC2)C)NCC3=CC=CC=C3)S(=O)(=O)NCC(C)C

Isomeric SMILES

CC(C)CNS(=O)(=O)C1=CC(=C(C=C1N2CCN(CC2)C)NCC3=CC=CC=C3)S(=O)(=O)NCC(C)C

InChI

InChI=1S/C26H41N5O4S2/c1-20(2)17-28-36(32,33)25-16-26(37(34,35)29-18-21(3)4)24(31-13-11-30(5)12-14-31)15-23(25)27-19-22-9-7-6-8-10-22/h6-10,15-16,20-21,27-29H,11-14,17-19H2,1-5H3