ethanedioic acid; 1-[[5-[2-methoxy-5-(phenylsulfonyl)phenyl]-1H-pyrrol-2-yl]methyl]piperidine

Systemtic Name: ethanedioic acid; 1-[[5-[2-methoxy-5-(phenylsulfonyl)phenyl]-1H-pyrrol-2-yl]methyl]piperidine Openeye Name: 1-[[5-[5-(benzenesulfonyl)-2-methoxy-phenyl]-1H-pyrrol-2-yl]methyl]piperidine; oxalic acid CAS Name: 1-[[5-[5-(benzenesulfonyl)-2-methoxyphenyl]-1H-pyrrol-2-yl]methyl]piperidine; oxalic acid IUPAC Name: 1-[[5-[5-(benzenesulfonyl)-2-methoxyphenyl]-1H-pyrrol-2-yl]methyl]piperidine; oxalic acid Traditional Name: 1-[[5-(5-besyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]piperidine; oxalic acid Formula: C25H28N2O7S MolecularWeight: 500.56402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)C3=CC=C(N3)CN4CCCCC4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)C3=CC=C(N3)CN4CCCCC4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H26N2O3S.C2H2O4/c1-28-23-13-11-20(29(26,27)19-8-4-2-5-9-19)16-21(23)22-12-10-18(24-22)17-25-14-6-3-7-15-25;3-1(4)2(5)6/h2,4-5,8-13,16,24H,3,6-7,14-15,17H2,1H3;(H,3,4)(H,5,6)