N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-phenyl-ethyl]-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-phenyl-ethyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-phenyl-ethyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-phenyl-ethyl]-1,3-benzodioxole-5-sulfonamide Formula: C22H21NO7S2 MolecularWeight: 475.53464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)[C@H](CNS(=O)(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H21NO7S2/c1-28-17-7-9-18(10-8-17)31(24,25)22(16-5-3-2-4-6-16)14-23-32(26,27)19-11-12-20-21(13-19)30-15-29-20/h2-13,22-23H,14-15H2,1H3/t22-/m1/s1