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

Systemtic Name: N-[(4-methylphenyl)-thiophen-2-yl-methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[p-tolyl(2-thienyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[p-tolyl(2-thienyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H21NO4S2 MolecularWeight: 415.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CS2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H21NO4S2/c1-15-5-7-16(8-6-15)21(20-4-2-13-27-20)22-28(23,24)17-9-10-18-19(14-17)26-12-3-11-25-18/h2,4-10,13-14,21-22H,3,11-12H2,1H3