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

Systemtic Name: benzenesulfonic acid; N-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide Openeye Name: benzenesulfonic acid; N-[3-(1-pentyl-4-piperidyl)-1H-indol-5-yl]ethanesulfonamide CAS Name: benzenesulfonic acid; N-[3-(1-pentyl-4-piperidinyl)-1H-indol-5-yl]ethanesulfonamide IUPAC Name: benzenesulfonic acid; N-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide Traditional Name: N-[3-(1-amyl-4-piperidyl)-1H-indol-5-yl]ethanesulfonamide; besylic acid Formula: C26H37N3O5S2 MolecularWeight: 535.71908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC(CC1)C2=CNC3=C2C=C(C=C3)NS(=O)(=O)CC.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCN1CCC(CC1)C2=CNC3=C2C=C(C=C3)NS(=O)(=O)CC.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C20H31N3O2S.C6H6O3S/c1-3-5-6-11-23-12-9-16(10-13-23)19-15-21-20-8-7-17(14-18(19)20)22-26(24,25)4-2;7-10(8,9)6-4-2-1-3-5-6/h7-8,14-16,21-22H,3-6,9-13H2,1-2H3;1-5H,(H,7,8,9)