N-[1-[bis(phenylmethyl)amino]-2-oxidanyl-4-phenyl-butyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[1-[bis(phenylmethyl)amino]-2-oxidanyl-4-phenyl-butyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[1-(dibenzylamino)-2-hydroxy-4-phenyl-butyl]-N-isobutyl-1,3-benzodioxole-5-sulfonamide CAS Name: N-[1-[bis(phenylmethyl)amino]-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[1-(dibenzylamino)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[1-(dibenzylamino)-2-hydroxy-4-phenyl-butyl]-N-isobutyl-1,3-benzodioxole-5-sulfonamide Formula: C35H40N2O5S MolecularWeight: 600.7675

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(C(CCC1=CC=CC=C1)O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)CN(C(C(CCC1=CC=CC=C1)O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C35H40N2O5S/c1-27(2)23-37(43(39,40)31-19-21-33-34(22-31)42-26-41-33)35(32(38)20-18-28-12-6-3-7-13-28)36(24-29-14-8-4-9-15-29)25-30-16-10-5-11-17-30/h3-17,19,21-22,27,32,35,38H,18,20,23-26H2,1-2H3