[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide

Systemtic Name: [4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide Openeye Name: [4-[(3-chlorobenzothiophene-2-carbonyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide CAS Name: [4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]phenyl]sulfonyl-(4-methyl-2-pyrimidinyl)azanide IUPAC Name: [4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide Traditional Name: [4-[(3-chlorobenzothiophene-2-carbonyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide Formula: C20H14ClN4O3S2- MolecularWeight: 457.93316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=NC(=NC=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H15ClN4O3S2/c1-12-10-11-22-20(23-12)25-30(27,28)14-8-6-13(7-9-14)24-19(26)18-17(21)15-4-2-3-5-16(15)29-18/h2-11H,1H3,(H2,22,23,24,25,26)/p-1