1-(2-azanylidene-1-pyrrolidin-3-yl-propyl)-4-(6-chloranylnaphthalen-2-yl)sulfonyl-piperazin-2-one hydrochloride

Systemtic Name: 1-(2-azanylidene-1-pyrrolidin-3-yl-propyl)-4-(6-chloranylnaphthalen-2-yl)sulfonyl-piperazin-2-one hydrochloride Openeye Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-1-(2-imino-1-pyrrolidin-3-yl-propyl)piperazin-2-one hydrochloride CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[2-imino-1-(3-pyrrolidinyl)propyl]-2-piperazinone hydrochloride IUPAC Name: 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(2-imino-1-pyrrolidin-3-ylpropyl)piperazin-2-one hydrochloride Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-1-(2-imino-1-pyrrolidin-3-yl-propyl)piperazin-2-one hydrochloride Formula: C21H26Cl2N4O3S MolecularWeight: 485.42714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C1CCNC1)N2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl.Cl

Isomeric SMILES

CC(=N)C(C1CCNC1)N2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl.Cl

InChI

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