methyl 3-(phenylsulfonylaminomethyl)-1-(2-propan-2-ylsulfonylpentyl)indole-5-carboxylate

Systemtic Name: methyl 3-(phenylsulfonylaminomethyl)-1-(2-propan-2-ylsulfonylpentyl)indole-5-carboxylate Openeye Name: methyl 3-(benzenesulfonamidomethyl)-1-(2-isopropylsulfonylpentyl)indole-5-carboxylate CAS Name: 3-(benzenesulfonamidomethyl)-1-(2-propan-2-ylsulfonylpentyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(benzenesulfonamidomethyl)-1-(2-propan-2-ylsulfonylpentyl)indole-5-carboxylate Traditional Name: 3-(benzenesulfonamidomethyl)-1-(2-isopropylsulfonylpentyl)indole-5-carboxylic acid methyl ester Formula: C25H32N2O6S2 MolecularWeight: 520.66138

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNS(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C(C)C

Isomeric SMILES

CCCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNS(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C25H32N2O6S2/c1-5-9-22(34(29,30)18(2)3)17-27-16-20(15-26-35(31,32)21-10-7-6-8-11-21)23-14-19(25(28)33-4)12-13-24(23)27/h6-8,10-14,16,18,22,26H,5,9,15,17H2,1-4H3