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

Systemtic Name: N1,N3-bis(2-dimethylaminoethyl)-4-(4-methylpiperazin-1-yl)-6-[(phenylmethyl)amino]benzene-1,3-disulfonamide Openeye Name: 4-(benzylamino)-N1,N3-bis(2-dimethylaminoethyl)-6-(4-methylpiperazin-1-yl)benzene-1,3-disulfonamide CAS Name: N1,N3-bis(2-dimethylaminoethyl)-4-(4-methyl-1-piperazinyl)-6-[(phenylmethyl)amino]benzene-1,3-disulfonamide IUPAC Name: 4-(benzylamino)-1-N,3-N-bis(2-dimethylaminoethyl)-6-(4-methylpiperazin-1-yl)benzene-1,3-disulfonamide Traditional Name: 4-(benzylamino)-N,N'-bis(2-dimethylaminoethyl)-6-(4-methylpiperazino)benzene-1,3-disulfonamide Formula: C26H43N7O4S2 MolecularWeight: 581.79412

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2S(=O)(=O)NCCN(C)C)S(=O)(=O)NCCN(C)C)NCC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2S(=O)(=O)NCCN(C)C)S(=O)(=O)NCCN(C)C)NCC3=CC=CC=C3

InChI

InChI=1S/C26H43N7O4S2/c1-30(2)13-11-28-38(34,35)25-20-26(39(36,37)29-12-14-31(3)4)24(33-17-15-32(5)16-18-33)19-23(25)27-21-22-9-7-6-8-10-22/h6-10,19-20,27-29H,11-18,21H2,1-5H3