sodium (1Z)-N-[(E)-2-(1-benzothiophen-3-yl)ethenyl]sulfonyl-4-chloranyl-2-methyl-benzenecarboximidate

Systemtic Name: sodium (1Z)-N-[(E)-2-(1-benzothiophen-3-yl)ethenyl]sulfonyl-4-chloranyl-2-methyl-benzenecarboximidate Openeye Name: sodium (1Z)-N-[(E)-2-(benzothiophen-3-yl)vinyl]sulfonyl-4-chloro-2-methyl-benzenecarboximidate CAS Name: sodium (1Z)-N-[(E)-2-(1-benzothiophen-3-yl)ethenyl]sulfonyl-4-chloro-2-methylbenzenecarboximidate IUPAC Name: sodium (1Z)-N-[(E)-2-(1-benzothiophen-3-yl)ethenyl]sulfonyl-4-chloro-2-methylbenzenecarboximidate Traditional Name: sodium (1Z)-N-[(E)-2-(benzothiophen-3-yl)vinyl]sulfonyl-4-chloro-2-methyl-benzenecarboximidate Formula: C18H13ClNNaO3S2 MolecularWeight: 413.87349

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=NS(=O)(=O)C=CC2=CSC3=CC=CC=C32)[O-].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)/C(=N/S(=O)(=O)/C=C/C2=CSC3=CC=CC=C32)/[O-].[Na+]

InChI

InChI=1S/C18H14ClNO3S2.Na/c1-12-10-14(19)6-7-15(12)18(21)20-25(22,23)9-8-13-11-24-17-5-3-2-4-16(13)17;/h2-11H,1H3,(H,20,21);/q;+1/p-1/b9-8+;