1-cycloheptyl-4-(4-methoxyphenyl)sulfonyl-piperazine; ethanedioic acid

Systemtic Name: 1-cycloheptyl-4-(4-methoxyphenyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-cycloheptyl-4-(4-methoxyphenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-cycloheptyl-4-(4-methoxyphenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-cycloheptyl-4-(4-methoxyphenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-cycloheptyl-4-(4-methoxyphenyl)sulfonyl-piperazine; oxalic acid Formula: C20H30N2O7S MolecularWeight: 442.5264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28N2O3S.C2H2O4/c1-23-17-8-10-18(11-9-17)24(21,22)20-14-12-19(13-15-20)16-6-4-2-3-5-7-16;3-1(4)2(5)6/h8-11,16H,2-7,12-15H2,1H3;(H,3,4)(H,5,6)