ethanedioic acid; 5-methoxy-1-(phenylsulfonyl)-3-(2-piperidin-1-ylethyl)indole

Systemtic Name: ethanedioic acid; 5-methoxy-1-(phenylsulfonyl)-3-(2-piperidin-1-ylethyl)indole Openeye Name: 1-(benzenesulfonyl)-5-methoxy-3-[2-(1-piperidyl)ethyl]indole; oxalic acid CAS Name: 1-(benzenesulfonyl)-5-methoxy-3-[2-(1-piperidinyl)ethyl]indole; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-5-methoxy-3-(2-piperidin-1-ylethyl)indole; oxalic acid Traditional Name: 1-besyl-5-methoxy-3-(2-piperidinoethyl)indole; oxalic acid Formula: C24H28N2O7S MolecularWeight: 488.55332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2CCN3CCCCC3)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CCN3CCCCC3)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H26N2O3S.C2H2O4/c1-27-19-10-11-22-21(16-19)18(12-15-23-13-6-3-7-14-23)17-24(22)28(25,26)20-8-4-2-5-9-20;3-1(4)2(5)6/h2,4-5,8-11,16-17H,3,6-7,12-15H2,1H3;(H,3,4)(H,5,6)