N-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-2-(1-ethanimidoylpiperidin-4-yl)ethanamide dihydrochloride

Systemtic Name: N-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-2-(1-ethanimidoylpiperidin-4-yl)ethanamide dihydrochloride Openeye Name: N-[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]-2-(1-ethanimidoyl-4-piperidyl)acetamide dihydrochloride CAS Name: N-[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]-2-[1-(1-iminoethyl)-4-piperidinyl]acetamide dihydrochloride IUPAC Name: N-[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]-2-(1-ethanimidoylpiperidin-4-yl)acetamide dihydrochloride Traditional Name: 2-(1-acetimidoyl-4-piperidyl)-N-[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]acetamide dihydrochloride Formula: C23H30Cl3N5O4S MolecularWeight: 578.9394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)CC(=O)NN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl.Cl.Cl

Isomeric SMILES

CC(=N)N1CCC(CC1)CC(=O)NN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl.Cl.Cl

InChI

InChI=1S/C23H28ClN5O4S.2ClH/c1-16(25)27-8-6-17(7-9-27)12-22(30)26-29-11-10-28(15-23(29)31)34(32,33)21-5-3-18-13-20(24)4-2-19(18)14-21;;/h2-5,13-14,17,25H,6-12,15H2,1H3,(H,26,30);2*1H