benzenesulfonamide; 4-methoxy-N-(phenylmethyl)-N-(1-sulfanylpropan-2-yl)benzenesulfonamide

Systemtic Name: benzenesulfonamide; 4-methoxy-N-(phenylmethyl)-N-(1-sulfanylpropan-2-yl)benzenesulfonamide Openeye Name: benzenesulfonamide; N-benzyl-4-methoxy-N-(1-methyl-2-sulfanyl-ethyl)benzenesulfonamide CAS Name: benzenesulfonamide; N-(1-mercaptopropan-2-yl)-4-methoxy-N-(phenylmethyl)benzenesulfonamide IUPAC Name: benzenesulfonamide; N-benzyl-4-methoxy-N-(1-sulfanylpropan-2-yl)benzenesulfonamide Traditional Name: benzenesulfonamide; N-benzyl-N-(2-mercapto-1-methyl-ethyl)-4-methoxy-benzenesulfonamide Formula: C23H28N2O5S3 MolecularWeight: 508.67382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CS)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC.C1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

CC(CS)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC.C1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C17H21NO3S2.C6H7NO2S/c1-14(13-22)18(12-15-6-4-3-5-7-15)23(19,20)17-10-8-16(21-2)9-11-17;7-10(8,9)6-4-2-1-3-5-6/h3-11,14,22H,12-13H2,1-2H3;1-5H,(H2,7,8,9)