N-[3-[bis(phenylmethyl)amino]-2-oxidanyl-propyl]-N-(4-methylphenyl)-4-nitro-benzenesulfonamide

Systemtic Name: N-[3-[bis(phenylmethyl)amino]-2-oxidanyl-propyl]-N-(4-methylphenyl)-4-nitro-benzenesulfonamide Openeye Name: N-[3-(dibenzylamino)-2-hydroxy-propyl]-4-nitro-N-(p-tolyl)benzenesulfonamide CAS Name: N-[3-[bis(phenylmethyl)amino]-2-hydroxypropyl]-N-(4-methylphenyl)-4-nitrobenzenesulfonamide IUPAC Name: N-[3-(dibenzylamino)-2-hydroxypropyl]-N-(4-methylphenyl)-4-nitrobenzenesulfonamide Traditional Name: N-[3-(dibenzylamino)-2-hydroxy-propyl]-4-nitro-N-(p-tolyl)benzenesulfonamide Formula: C30H31N3O5S MolecularWeight: 545.64924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(CN(CC2=CC=CC=C2)CC3=CC=CC=C3)O)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(CN(CC2=CC=CC=C2)CC3=CC=CC=C3)O)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C30H31N3O5S/c1-24-12-14-27(15-13-24)32(39(37,38)30-18-16-28(17-19-30)33(35)36)23-29(34)22-31(20-25-8-4-2-5-9-25)21-26-10-6-3-7-11-26/h2-19,29,34H,20-23H2,1H3