methyl 3-[(2-methylpropylamino)methyl]-1-(2-propan-2-ylsulfonylbutyl)indole-5-carboxylate

Systemtic Name: methyl 3-[(2-methylpropylamino)methyl]-1-(2-propan-2-ylsulfonylbutyl)indole-5-carboxylate Openeye Name: methyl 3-[(isobutylamino)methyl]-1-(2-isopropylsulfonylbutyl)indole-5-carboxylate CAS Name: 3-[(2-methylpropylamino)methyl]-1-(2-propan-2-ylsulfonylbutyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-methylpropylamino)methyl]-1-(2-propan-2-ylsulfonylbutyl)indole-5-carboxylate Traditional Name: 3-[(isobutylamino)methyl]-1-(2-isopropylsulfonylbutyl)indole-5-carboxylic acid methyl ester Formula: C22H34N2O4S MolecularWeight: 422.58136

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC(C)C)S(=O)(=O)C(C)C

Isomeric SMILES

CCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC(C)C)S(=O)(=O)C(C)C

InChI

InChI=1S/C22H34N2O4S/c1-7-19(29(26,27)16(4)5)14-24-13-18(12-23-11-15(2)3)20-10-17(22(25)28-6)8-9-21(20)24/h8-10,13,15-16,19,23H,7,11-12,14H2,1-6H3