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

Systemtic Name: 4-(4-methylpiperazin-1-yl)-N1,N3-bis(1-phenethylpiperidin-4-yl)-6-[(phenylmethyl)amino]benzene-1,3-disulfonamide Openeye Name: 4-(benzylamino)-6-(4-methylpiperazin-1-yl)-N1,N3-bis(1-phenethyl-4-piperidyl)benzene-1,3-disulfonamide CAS Name: 4-(4-methyl-1-piperazinyl)-N1,N3-bis(1-phenethyl-4-piperidinyl)-6-[(phenylmethyl)amino]benzene-1,3-disulfonamide IUPAC Name: 4-(benzylamino)-6-(4-methylpiperazin-1-yl)-1-N,3-N-bis(1-phenethylpiperidin-4-yl)benzene-1,3-disulfonamide Traditional Name: 4-(benzylamino)-6-(4-methylpiperazino)-N,N'-bis(1-phenethyl-4-piperidyl)benzene-1,3-disulfonamide Formula: C44H59N7O4S2 MolecularWeight: 814.11376

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2S(=O)(=O)NC3CCN(CC3)CCC4=CC=CC=C4)S(=O)(=O)NC5CCN(CC5)CCC6=CC=CC=C6)NCC7=CC=CC=C7

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2S(=O)(=O)NC3CCN(CC3)CCC4=CC=CC=C4)S(=O)(=O)NC5CCN(CC5)CCC6=CC=CC=C6)NCC7=CC=CC=C7

InChI

InChI=1S/C44H59N7O4S2/c1-48-29-31-51(32-30-48)42-33-41(45-35-38-15-9-4-10-16-38)43(56(52,53)46-39-19-25-49(26-20-39)23-17-36-11-5-2-6-12-36)34-44(42)57(54,55)47-40-21-27-50(28-22-40)24-18-37-13-7-3-8-14-37/h2-16,33-34,39-40,45-47H,17-32,35H2,1H3