[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)azanide

Systemtic Name: [5-(acetamidomethyl)thiophen-2-yl]sulfonyl-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)azanide Openeye Name: [5-(acetamidomethyl)-2-thienyl]sulfonyl-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)azanide CAS Name: [5-(acetamidomethyl)-2-thiophenyl]sulfonyl-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)azanide IUPAC Name: [5-(acetamidomethyl)thiophen-2-yl]sulfonyl-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)azanide Traditional Name: [5-(acetamidomethyl)-2-thienyl]sulfonyl-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)azanide Formula: C16H16ClN2O5S2- MolecularWeight: 415.89164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCCCO3

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)S(=O)(=O)[N-]C2=CC3=C(C=C2Cl)OCCCO3

InChI

InChI=1S/C16H16ClN2O5S2/c1-10(20)18-9-11-3-4-16(25-11)26(21,22)19-13-8-15-14(7-12(13)17)23-5-2-6-24-15/h3-4,7-8H,2,5-6,9H2,1H3,(H,18,20)/q-1