4-[(4-naphthalen-2-ylsulfonyl-2-oxidanylidene-piperazin-1-yl)methyl]benzenecarboximidamide hydrochloride

Systemtic Name: 4-[(4-naphthalen-2-ylsulfonyl-2-oxidanylidene-piperazin-1-yl)methyl]benzenecarboximidamide hydrochloride Openeye Name: 4-[[4-(2-naphthylsulfonyl)-2-oxo-piperazin-1-yl]methyl]benzamidine hydrochloride CAS Name: 4-[[4-(2-naphthalenylsulfonyl)-2-oxo-1-piperazinyl]methyl]benzenecarboximidamide hydrochloride IUPAC Name: 4-[(4-naphthalen-2-ylsulfonyl-2-oxopiperazin-1-yl)methyl]benzenecarboximidamide hydrochloride Traditional Name: 4-[[2-keto-4-(2-naphthylsulfonyl)piperazino]methyl]benzamidine hydrochloride Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C22H22N4O3S.ClH/c23-22(24)18-7-5-16(6-8-18)14-25-11-12-26(15-21(25)27)30(28,29)20-10-9-17-3-1-2-4-19(17)13-20;/h1-10,13H,11-12,14-15H2,(H3,23,24);1H