4-[[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methylsulfonylamino]methyl]benzamide; ethanedioic acid; hydrate

Systemtic Name: 4-[[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methylsulfonylamino]methyl]benzamide; ethanedioic acid; hydrate Openeye Name: 4-[[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methylsulfonylamino]methyl]benzamide; oxalic acid; hydrate CAS Name: 4-[[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methylsulfonylamino]methyl]benzamide; oxalic acid; hydrate IUPAC Name: 4-[[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methylsulfonylamino]methyl]benzamide; oxalic acid; hydrate Traditional Name: 4-[[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methylsulfonylamino]methyl]benzamide; oxalic acid; hydrate Formula: C23H30N4O8S MolecularWeight: 522.5713

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)NCC3=CC=C(C=C3)C(=O)N.C(=O)(C(=O)O)O.O

Isomeric SMILES

CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)NCC3=CC=C(C=C3)C(=O)N.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C21H26N4O3S.C2H2O4.H2O/c1-25(2)10-9-18-13-23-20-8-5-16(11-19(18)20)14-29(27,28)24-12-15-3-6-17(7-4-15)21(22)26;3-1(4)2(5)6;/h3-8,11,13,23-24H,9-10,12,14H2,1-2H3,(H2,22,26);(H,3,4)(H,5,6);1H2