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

Systemtic Name: N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[[5-(2-methylthiazol-4-yl)-2-thienyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[[5-(2-methyl-4-thiazolyl)-2-thiophenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[[5-(2-methylthiazol-4-yl)-2-thienyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H18N2O4S3 MolecularWeight: 422.54152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(S2)CNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(S2)CNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C18H18N2O4S3/c1-12-20-15(11-25-12)18-6-3-13(26-18)10-19-27(21,22)14-4-5-16-17(9-14)24-8-2-7-23-16/h3-6,9,11,19H,2,7-8,10H2,1H3