2-(cyclohexylmethylamino)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone; ethanedioic acid

Systemtic Name: 2-(cyclohexylmethylamino)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone; ethanedioic acid Openeye Name: 2-(cyclohexylmethylamino)-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(cyclohexylmethylamino)-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(cyclohexylmethylamino)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone; oxalic acid Traditional Name: 2-(cyclohexylmethylamino)-1-[4-(2-naphthylsulfonyl)piperazino]ethanone; oxalic acid Formula: C25H33N3O7S MolecularWeight: 519.61042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(CC1)CNCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H31N3O3S.C2H2O4/c27-23(18-24-17-19-6-2-1-3-7-19)25-12-14-26(15-13-25)30(28,29)22-11-10-20-8-4-5-9-21(20)16-22;3-1(4)2(5)6/h4-5,8-11,16,19,24H,1-3,6-7,12-15,17-18H2;(H,3,4)(H,5,6)