N-[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(R)-(4-ethylphenyl)-(2-thienyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(R)-(4-ethylphenyl)-(2-thienyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H21NO4S2 MolecularWeight: 415.52574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21NO4S2/c1-2-15-5-7-16(8-6-15)21(20-4-3-13-27-20)22-28(23,24)17-9-10-18-19(14-17)26-12-11-25-18/h3-10,13-14,21-22H,2,11-12H2,1H3/t21-/m1/s1