ethanedioic acid; 3-(1H-indol-5-yl)-N-[methylsulfonylamino(phenyl)methyl]propanamide

Systemtic Name: ethanedioic acid; 3-(1H-indol-5-yl)-N-[methylsulfonylamino(phenyl)methyl]propanamide Openeye Name: 3-(1H-indol-5-yl)-N-[methanesulfonamido(phenyl)methyl]propanamide; oxalic acid CAS Name: 3-(1H-indol-5-yl)-N-[methanesulfonamido(phenyl)methyl]propanamide; oxalic acid IUPAC Name: 3-(1H-indol-5-yl)-N-[methanesulfonamido(phenyl)methyl]propanamide; oxalic acid Traditional Name: 3-(1H-indol-5-yl)-N-[methanesulfonamido(phenyl)methyl]propionamide; oxalic acid Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(C1=CC=CC=C1)NC(=O)CCC2=CC3=C(C=C2)NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CS(=O)(=O)NC(C1=CC=CC=C1)NC(=O)CCC2=CC3=C(C=C2)NC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21N3O3S.C2H2O4/c1-26(24,25)22-19(15-5-3-2-4-6-15)21-18(23)10-8-14-7-9-17-16(13-14)11-12-20-17;3-1(4)2(5)6/h2-7,9,11-13,19-20,22H,8,10H2,1H3,(H,21,23);(H,3,4)(H,5,6)