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

Systemtic Name: N-[(2S)-2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[(2S)-2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[(2S)-2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[(2S)-2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[(2S)-2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1,3-benzodioxole-5-sulfonamide Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNS(=O)(=O)C1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CC)[C@H](CNS(=O)(=O)C1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H26N2O5S/c1-4-22(5-2)18(15-6-8-16(25-3)9-7-15)13-21-28(23,24)17-10-11-19-20(12-17)27-14-26-19/h6-12,18,21H,4-5,13-14H2,1-3H3/t18-/m1/s1