5-[2-[bis(phenylmethyl)amino]-1-oxidanyl-ethyl]-2-(4-methylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: 5-[2-[bis(phenylmethyl)amino]-1-oxidanyl-ethyl]-2-(4-methylpiperazin-1-yl)benzenesulfonamide Openeye Name: 5-[2-(dibenzylamino)-1-hydroxy-ethyl]-2-(4-methylpiperazin-1-yl)benzenesulfonamide CAS Name: 5-[2-[bis(phenylmethyl)amino]-1-hydroxyethyl]-2-(4-methyl-1-piperazinyl)benzenesulfonamide IUPAC Name: 5-[2-(dibenzylamino)-1-hydroxyethyl]-2-(4-methylpiperazin-1-yl)benzenesulfonamide Traditional Name: 5-[2-(dibenzylamino)-1-hydroxy-ethyl]-2-(4-methylpiperazino)benzenesulfonamide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(CN(CC3=CC=CC=C3)CC4=CC=CC=C4)O)S(=O)(=O)N

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(CN(CC3=CC=CC=C3)CC4=CC=CC=C4)O)S(=O)(=O)N

InChI

InChI=1S/C27H34N4O3S/c1-29-14-16-31(17-15-29)25-13-12-24(18-27(25)35(28,33)34)26(32)21-30(19-22-8-4-2-5-9-22)20-23-10-6-3-7-11-23/h2-13,18,26,32H,14-17,19-21H2,1H3,(H2,28,33,34)