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

Systemtic Name: methyl 1-(2-propan-2-ylsulfonylpentyl)-3-(propylaminomethyl)indole-5-carboxylate Openeye Name: methyl 1-(2-isopropylsulfonylpentyl)-3-(propylaminomethyl)indole-5-carboxylate CAS Name: 1-(2-propan-2-ylsulfonylpentyl)-3-(propylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-propan-2-ylsulfonylpentyl)-3-(propylaminomethyl)indole-5-carboxylate Traditional Name: 1-(2-isopropylsulfonylpentyl)-3-(propylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C22H34N2O4S MolecularWeight: 422.58136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O4S/c1-6-8-19(29(26,27)16(3)4)15-24-14-18(13-23-11-7-2)20-12-17(22(25)28-5)9-10-21(20)24/h9-10,12,14,16,19,23H,6-8,11,13,15H2,1-5H3