6-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]pyridine-3-carboximidamide

Systemtic Name: 6-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]pyridine-3-carboximidamide Openeye Name: 6-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]pyridine-3-carboxamidine CAS Name: 6-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-3-pyridinecarboximidamide IUPAC Name: 6-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]pyridine-3-carboximidamide Traditional Name: 6-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]methyl]nicotinamidine Formula: C21H20ClN5O3S MolecularWeight: 457.9332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5O3S/c22-17-4-1-15-10-19(6-3-14(15)9-17)31(29,30)27-8-7-26(20(28)13-27)12-18-5-2-16(11-25-18)21(23)24/h1-6,9-11H,7-8,12-13H2,(H3,23,24)