ethanedioic acid; 2-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1-(phenylsulfonyl)indole

Systemtic Name: ethanedioic acid; 2-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1-(phenylsulfonyl)indole Openeye Name: 1-(benzenesulfonyl)-2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)indole; oxalic acid CAS Name: 1-(benzenesulfonyl)-2-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indole; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)indole; oxalic acid Traditional Name: 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1-besyl-indole; oxalic acid Formula: C28H26N2O6S MolecularWeight: 518.58084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CC=C1C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H24N2O2S.C2H2O4/c29-31(30,24-12-5-2-6-13-24)28-25-14-8-7-11-23(25)19-26(28)22-15-17-27(18-16-22)20-21-9-3-1-4-10-21;3-1(4)2(5)6/h1-15,19H,16-18,20H2;(H,3,4)(H,5,6)