2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone; ethanedioic acid

Systemtic Name: 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone; ethanedioic acid Openeye Name: 2-[2-(cyclohexen-1-yl)ethylamino]-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-[2-(1-cyclohexenyl)ethylamino]-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone; oxalic acid Traditional Name: 2-[2-(cyclohexen-1-yl)ethylamino]-1-[4-(2-naphthylsulfonyl)piperazino]ethanone; oxalic acid Formula: C26H33N3O7S MolecularWeight: 531.62112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3S.C2H2O4/c28-24(19-25-13-12-20-6-2-1-3-7-20)26-14-16-27(17-15-26)31(29,30)23-11-10-21-8-4-5-9-22(21)18-23;3-1(4)2(5)6/h4-6,8-11,18,25H,1-3,7,12-17,19H2;(H,3,4)(H,5,6)