1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide; hexanedioic acid

Systemtic Name: 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide; hexanedioic acid Openeye Name: adipic acid; 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide CAS Name: 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide; hexanedioic acid IUPAC Name: 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide; hexanedioic acid Traditional Name: adipic acid; 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide Formula: C20H31N3O6S MolecularWeight: 441.54164

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C14H21N3O2S.C6H10O4/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3;7-5(8)3-1-2-4-6(9)10/h4-5,8-9,15-16H,6-7,10H2,1-3H3;1-4H2,(H,7,8)(H,9,10)