[3-(1-methylpiperidin-4-yl)-1-naphthalen-1-ylsulfonyl-indol-5-yl] benzenesulfonate

Systemtic Name: [3-(1-methylpiperidin-4-yl)-1-naphthalen-1-ylsulfonyl-indol-5-yl] benzenesulfonate Openeye Name: [3-(1-methyl-4-piperidyl)-1-(1-naphthylsulfonyl)indol-5-yl] benzenesulfonate CAS Name: benzenesulfonic acid [3-(1-methyl-4-piperidinyl)-1-(1-naphthalenylsulfonyl)-5-indolyl] ester IUPAC Name: [3-(1-methylpiperidin-4-yl)-1-naphthalen-1-ylsulfonylindol-5-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-(1-methyl-4-piperidyl)-1-(1-naphthylsulfonyl)indol-5-yl] ester Formula: C30H28N2O5S2 MolecularWeight: 560.68372

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=CN(C3=C2C=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CN1CCC(CC1)C2=CN(C3=C2C=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C30H28N2O5S2/c1-31-18-16-23(17-19-31)28-21-32(38(33,34)30-13-7-9-22-8-5-6-12-26(22)30)29-15-14-24(20-27(28)29)37-39(35,36)25-10-3-2-4-11-25/h2-15,20-21,23H,16-19H2,1H3