3-[4-(imidazol-1-ylmethyl)phenyl]sulfonyl-1-(piperidin-4-ylmethyl)piperazin-2-one hydrochloride

Systemtic Name: 3-[4-(imidazol-1-ylmethyl)phenyl]sulfonyl-1-(piperidin-4-ylmethyl)piperazin-2-one hydrochloride Openeye Name: 3-[4-(imidazol-1-ylmethyl)phenyl]sulfonyl-1-(4-piperidylmethyl)piperazin-2-one hydrochloride CAS Name: 3-[4-(1-imidazolylmethyl)phenyl]sulfonyl-1-(4-piperidinylmethyl)-2-piperazinone hydrochloride IUPAC Name: 3-[4-(imidazol-1-ylmethyl)phenyl]sulfonyl-1-(piperidin-4-ylmethyl)piperazin-2-one hydrochloride Traditional Name: 3-[4-(imidazol-1-ylmethyl)phenyl]sulfonyl-1-(4-piperidylmethyl)piperazin-2-one hydrochloride Formula: C20H28ClN5O3S MolecularWeight: 453.98602

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CN2CCNC(C2=O)S(=O)(=O)C3=CC=C(C=C3)CN4C=CN=C4.Cl

Isomeric SMILES

C1CNCCC1CN2CCNC(C2=O)S(=O)(=O)C3=CC=C(C=C3)CN4C=CN=C4.Cl

InChI

InChI=1S/C20H27N5O3S.ClH/c26-20-19(23-10-12-25(20)14-17-5-7-21-8-6-17)29(27,28)18-3-1-16(2-4-18)13-24-11-9-22-15-24;/h1-4,9,11,15,17,19,21,23H,5-8,10,12-14H2;1H