(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2-methoxycarbonylthiophen-3-yl)sulfonyl-azanide

Systemtic Name: (7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2-methoxycarbonylthiophen-3-yl)sulfonyl-azanide Openeye Name: (7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[(2-methoxycarbonyl-3-thienyl)sulfonyl]azanide CAS Name: (7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[(2-methoxycarbonyl-3-thiophenyl)sulfonyl]azanide IUPAC Name: (7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2-methoxycarbonylthiophen-3-yl)sulfonylazanide Traditional Name: (2-carbomethoxy-3-thienyl)sulfonyl-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)azanide Formula: C15H13ClNO6S2- MolecularWeight: 402.84982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCCCO3

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCCCO3

InChI

InChI=1S/C15H13ClNO6S2/c1-21-15(18)14-13(3-6-24-14)25(19,20)17-10-8-12-11(7-9(10)16)22-4-2-5-23-12/h3,6-8H,2,4-5H2,1H3/q-1