(4-methylphenyl)sulfonyl-[3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]methanesulfonamide

Systemtic Name: (4-methylphenyl)sulfonyl-[3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]methanesulfonamide Openeye Name: p-tolylsulfonyl-[3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]methanesulfonamide CAS Name: (4-methylphenyl)sulfonyl-[3-[1-(2-pyrrolidinyl)ethyl]-1H-indol-5-yl]methanesulfonamide IUPAC Name: (4-methylphenyl)sulfonyl-[3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]methanesulfonamide Traditional Name: [3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]-tosyl-methanesulfonamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC3=C(C=C2)NC=C3C(C)C4CCCN4)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC3=C(C=C2)NC=C3C(C)C4CCCN4)S(=O)(=O)N

InChI

InChI=1S/C22H27N3O4S2/c1-14-5-8-17(9-6-14)30(26,27)22(31(23,28)29)16-7-10-21-18(12-16)19(13-25-21)15(2)20-4-3-11-24-20/h5-10,12-13,15,20,22,24-25H,3-4,11H2,1-2H3,(H2,23,28,29)