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

Systemtic Name: benzenesulfonic acid; 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide Openeye Name: benzenesulfonic acid; 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide CAS Name: benzenesulfonic acid; 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide IUPAC Name: benzenesulfonic acid; 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide Traditional Name: besylic acid; 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide Formula: C20H27N3O5S2 MolecularWeight: 453.57548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2S.C6H6O3S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3;7-10(8,9)6-4-2-1-3-5-6/h4-5,8-9,15-16H,6-7,10H2,1-3H3;1-5H,(H,7,8,9)