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

Systemtic Name: ethanedioic acid; 5-methoxy-1-(phenylsulfonyl)-3-(2-piperazin-1-ylethyl)indole Openeye Name: 1-(benzenesulfonyl)-5-methoxy-3-(2-piperazin-1-ylethyl)indole; oxalic acid CAS Name: 1-(benzenesulfonyl)-5-methoxy-3-[2-(1-piperazinyl)ethyl]indole; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-5-methoxy-3-(2-piperazin-1-ylethyl)indole; oxalic acid Traditional Name: 1-besyl-5-methoxy-3-(2-piperazinoethyl)indole; oxalic acid Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2CCN3CCNCC3)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CCN3CCNCC3)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H25N3O3S.C2H2O4/c1-27-18-7-8-21-20(15-18)17(9-12-23-13-10-22-11-14-23)16-24(21)28(25,26)19-5-3-2-4-6-19;3-1(4)2(5)6/h2-8,15-16,22H,9-14H2,1H3;(H,3,4)(H,5,6)