4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-ethanimidoyl-3-(pyrrolidin-3-ylmethyl)piperazin-2-one hydrochloride

Systemtic Name: 4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-ethanimidoyl-3-(pyrrolidin-3-ylmethyl)piperazin-2-one hydrochloride Openeye Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-1-ethanimidoyl-3-(pyrrolidin-3-ylmethyl)piperazin-2-one hydrochloride CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-(1-iminoethyl)-3-(3-pyrrolidinylmethyl)-2-piperazinone hydrochloride IUPAC Name: 4-(6-chloronaphthalen-2-yl)sulfonyl-1-ethanimidoyl-3-(pyrrolidin-3-ylmethyl)piperazin-2-one hydrochloride Traditional Name: 1-acetimidoyl-4-[(6-chloro-2-naphthyl)sulfonyl]-3-(pyrrolidin-3-ylmethyl)piperazin-2-one hydrochloride Formula: C21H26Cl2N4O3S MolecularWeight: 485.42714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCN(C(C1=O)CC2CCNC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl.Cl

Isomeric SMILES

CC(=N)N1CCN(C(C1=O)CC2CCNC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl.Cl

InChI

InChI=1S/C21H25ClN4O3S.ClH/c1-14(23)25-8-9-26(20(21(25)27)10-15-6-7-24-13-15)30(28,29)19-5-3-16-11-18(22)4-2-17(16)12-19;/h2-5,11-12,15,20,23-24H,6-10,13H2,1H3;1H