4-[[4-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarboximidamide hydrochloride

Systemtic Name: 4-[[4-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarboximidamide hydrochloride Openeye Name: 4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]benzamidine hydrochloride CAS Name: 4-[[4-[(7-chloro-2H-1-benzopyran-3-yl)sulfonyl]-2-oxo-1-piperazinyl]methyl]benzenecarboximidamide hydrochloride IUPAC Name: 4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-oxopiperazin-1-yl]methyl]benzenecarboximidamide hydrochloride Traditional Name: 4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-keto-piperazino]methyl]benzamidine hydrochloride Formula: C21H22Cl2N4O4S MolecularWeight: 497.39478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=C(C=C(C=C3)Cl)OC2)CC4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=C(C=C(C=C3)Cl)OC2)CC4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C21H21ClN4O4S.ClH/c22-17-6-5-16-9-18(13-30-19(16)10-17)31(28,29)26-8-7-25(20(27)12-26)11-14-1-3-15(4-2-14)21(23)24;/h1-6,9-10H,7-8,11-13H2,(H3,23,24);1H