(3Z)-2-oxidanylidene-3-(5-piperazin-1-ylsulfonyl-1H-pyridin-2-ylidene)-1H-indole-6-carbonitrile hydrochloride

Systemtic Name: (3Z)-2-oxidanylidene-3-(5-piperazin-1-ylsulfonyl-1H-pyridin-2-ylidene)-1H-indole-6-carbonitrile hydrochloride Openeye Name: (3Z)-2-oxo-3-(5-piperazin-1-ylsulfonyl-1H-pyridin-2-ylidene)indoline-6-carbonitrile hydrochloride CAS Name: (3Z)-2-oxo-3-[5-(1-piperazinylsulfonyl)-1H-pyridin-2-ylidene]-1H-indole-6-carbonitrile hydrochloride IUPAC Name: (3Z)-2-oxo-3-(5-piperazin-1-ylsulfonyl-1H-pyridin-2-ylidene)-1H-indole-6-carbonitrile hydrochloride Traditional Name: (3Z)-2-keto-3-(5-piperazinosulfonyl-1H-pyridin-2-ylidene)indoline-6-carbonitrile hydrochloride Formula: C18H18ClN5O3S MolecularWeight: 419.88522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)S(=O)(=O)C2=CNC(=C3C4=C(C=C(C=C4)C#N)NC3=O)C=C2.Cl

Isomeric SMILES

C1CN(CCN1)S(=O)(=O)C2=CN/C(=C\3/C4=C(C=C(C=C4)C#N)NC3=O)/C=C2.Cl

InChI

InChI=1S/C18H17N5O3S.ClH/c19-10-12-1-3-14-16(9-12)22-18(24)17(14)15-4-2-13(11-21-15)27(25,26)23-7-5-20-6-8-23;/h1-4,9,11,20-21H,5-8H2,(H,22,24);1H/b17-15-;