4-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarboximidamide; ethanoic acid

Systemtic Name: 4-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarboximidamide; ethanoic acid Openeye Name: acetic acid; 4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]benzamidine CAS Name: acetic acid; 4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]methyl]benzenecarboximidamide IUPAC Name: acetic acid; 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]benzenecarboximidamide Traditional Name: acetic acid; 4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]methyl]benzamidine Formula: C24H25ClN4O5S MolecularWeight: 516.9971

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O3S.C2H4O2/c23-19-7-5-18-12-20(8-6-17(18)11-19)31(29,30)27-10-9-26(21(28)14-27)13-15-1-3-16(4-2-15)22(24)25;1-2(3)4/h1-8,11-12H,9-10,13-14H2,(H3,24,25);1H3,(H,3,4)