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

Systemtic Name: ethanedioic acid; 5-methoxy-1-(phenylsulfonyl)-3-(2-pyrrolidin-1-ylethyl)indole Openeye Name: 1-(benzenesulfonyl)-5-methoxy-3-(2-pyrrolidin-1-ylethyl)indole; oxalic acid CAS Name: 1-(benzenesulfonyl)-5-methoxy-3-[2-(1-pyrrolidinyl)ethyl]indole; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-5-methoxy-3-(2-pyrrolidin-1-ylethyl)indole; oxalic acid Traditional Name: 1-besyl-5-methoxy-3-(2-pyrrolidinoethyl)indole; oxalic acid Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2CCN3CCCC3)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CCN3CCCC3)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H24N2O3S.C2H2O4/c1-26-18-9-10-21-20(15-18)17(11-14-22-12-5-6-13-22)16-23(21)27(24,25)19-7-3-2-4-8-19;3-1(4)2(5)6/h2-4,7-10,15-16H,5-6,11-14H2,1H3;(H,3,4)(H,5,6)