benzenesulfonic acid; N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide

Systemtic Name: benzenesulfonic acid; N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide Openeye Name: benzenesulfonic acid; N-methyl-2-[3-(1-methyl-4-piperidyl)-1H-indol-5-yl]ethanesulfonamide CAS Name: benzenesulfonic acid; N-methyl-2-[3-(1-methyl-4-piperidinyl)-1H-indol-5-yl]ethanesulfonamide IUPAC Name: benzenesulfonic acid; N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide Traditional Name: besylic acid; N-methyl-2-[3-(1-methyl-4-piperidyl)-1H-indol-5-yl]ethanesulfonamide Formula: C23H31N3O5S2 MolecularWeight: 493.63934

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C17H25N3O2S.C6H6O3S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14;7-10(8,9)6-4-2-1-3-5-6/h3-4,11-12,14,18-19H,5-10H2,1-2H3;1-5H,(H,7,8,9)