methyl 1-[2-(phenylsulfonyl)-2-propan-2-ylsulfonyl-ethyl]-3-(propylaminomethyl)indole-5-carboxylate

Systemtic Name: methyl 1-[2-(phenylsulfonyl)-2-propan-2-ylsulfonyl-ethyl]-3-(propylaminomethyl)indole-5-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)-2-isopropylsulfonyl-ethyl]-3-(propylaminomethyl)indole-5-carboxylate CAS Name: 1-[2-(benzenesulfonyl)-2-propan-2-ylsulfonylethyl]-3-(propylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)-2-propan-2-ylsulfonylethyl]-3-(propylaminomethyl)indole-5-carboxylate Traditional Name: 1-(2-besyl-2-isopropylsulfonyl-ethyl)-3-(propylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C25H32N2O6S2 MolecularWeight: 520.66138

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C(C)C

Isomeric SMILES

CCCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C(C)C

InChI

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