ethanedioic acid; 1-(phenylsulfonyl)-3-[[(2S)-pyrrolidin-2-yl]methyl]indole

Systemtic Name: ethanedioic acid; 1-(phenylsulfonyl)-3-[[(2S)-pyrrolidin-2-yl]methyl]indole Openeye Name: 1-(benzenesulfonyl)-3-[[(2S)-pyrrolidin-2-yl]methyl]indole; oxalic acid CAS Name: 1-(benzenesulfonyl)-3-[[(2S)-2-pyrrolidinyl]methyl]indole; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-3-[[(2S)-pyrrolidin-2-yl]methyl]indole; oxalic acid Traditional Name: 1-besyl-3-[[(2S)-pyrrolidin-2-yl]methyl]indole; oxalic acid Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)CC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1C[C@H](NC1)CC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H20N2O2S.C2H2O4/c22-24(23,17-8-2-1-3-9-17)21-14-15(13-16-7-6-12-20-16)18-10-4-5-11-19(18)21;3-1(4)2(5)6/h1-5,8-11,14,16,20H,6-7,12-13H2;(H,3,4)(H,5,6)/t16-;/m0./s1