N-[3-[bis(phenylmethyl)amino]-2-oxidanyl-propyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide

Systemtic Name: N-[3-[bis(phenylmethyl)amino]-2-oxidanyl-propyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide Openeye Name: N-[3-(dibenzylamino)-2-hydroxy-propyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide CAS Name: N-[3-[bis(phenylmethyl)amino]-2-hydroxypropyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide IUPAC Name: N-[3-(dibenzylamino)-2-hydroxypropyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide Traditional Name: N-[3-(dibenzylamino)-2-hydroxy-propyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide Formula: C30H31N3O6S MolecularWeight: 561.64864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(CN(CC2=CC=CC=C2)CC3=CC=CC=C3)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(CN(CC2=CC=CC=C2)CC3=CC=CC=C3)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H31N3O6S/c1-39-30-18-17-26(33(35)36)19-29(30)32(40(37,38)28-15-9-4-10-16-28)23-27(34)22-31(20-24-11-5-2-6-12-24)21-25-13-7-3-8-14-25/h2-19,27,34H,20-23H2,1H3