N-[(S)-(4-fluorophenyl)-thiophen-2-yl-methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(S)-(4-fluorophenyl)-thiophen-2-yl-methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(S)-(4-fluorophenyl)-(2-thienyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(S)-(4-fluorophenyl)-(2-thienyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H18FNO4S2 MolecularWeight: 419.489623

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N[C@@H](C3=CC=C(C=C3)F)C4=CC=CS4)OC1

InChI

InChI=1S/C20H18FNO4S2/c21-15-6-4-14(5-7-15)20(19-3-1-12-27-19)22-28(23,24)16-8-9-17-18(13-16)26-11-2-10-25-17/h1,3-9,12-13,20,22H,2,10-11H2/t20-/m0/s1