1-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-[4-(imidazol-1-ylmethyl)phenyl]sulfonyl-piperazin-2-one

Systemtic Name: 1-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-[4-(imidazol-1-ylmethyl)phenyl]sulfonyl-piperazin-2-one Openeye Name: 1-[(1-ethanimidoyl-4-piperidyl)methyl]-4-[4-(imidazol-1-ylmethyl)phenyl]sulfonyl-piperazin-2-one CAS Name: 4-[4-(1-imidazolylmethyl)phenyl]sulfonyl-1-[[1-(1-iminoethyl)-4-piperidinyl]methyl]-2-piperazinone IUPAC Name: 1-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-[4-(imidazol-1-ylmethyl)phenyl]sulfonylpiperazin-2-one Traditional Name: 1-[(1-acetimidoyl-4-piperidyl)methyl]-4-[4-(imidazol-1-ylmethyl)phenyl]sulfonyl-piperazin-2-one Formula: C22H30N6O3S MolecularWeight: 458.577

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)CN2CCN(CC2=O)S(=O)(=O)C3=CC=C(C=C3)CN4C=CN=C4

Isomeric SMILES

CC(=N)N1CCC(CC1)CN2CCN(CC2=O)S(=O)(=O)C3=CC=C(C=C3)CN4C=CN=C4

InChI

InChI=1S/C22H30N6O3S/c1-18(23)26-9-6-20(7-10-26)15-27-12-13-28(16-22(27)29)32(30,31)21-4-2-19(3-5-21)14-25-11-8-24-17-25/h2-5,8,11,17,20,23H,6-7,9-10,12-16H2,1H3