methyl 1-(4-methyl-2-propan-2-ylsulfonyl-pentyl)-3-[(2-methylpropylamino)methyl]indole-5-carboxylate

Systemtic Name: methyl 1-(4-methyl-2-propan-2-ylsulfonyl-pentyl)-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Openeye Name: methyl 3-[(isobutylamino)methyl]-1-(2-isopropylsulfonyl-4-methyl-pentyl)indole-5-carboxylate CAS Name: 1-(4-methyl-2-propan-2-ylsulfonylpentyl)-3-[(2-methylpropylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-methyl-2-propan-2-ylsulfonylpentyl)-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Traditional Name: 3-[(isobutylamino)methyl]-1-(2-isopropylsulfonyl-4-methyl-pentyl)indole-5-carboxylic acid methyl ester Formula: C24H38N2O4S MolecularWeight: 450.63452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38N2O4S/c1-16(2)10-21(31(28,29)18(5)6)15-26-14-20(13-25-12-17(3)4)22-11-19(24(27)30-7)8-9-23(22)26/h8-9,11,14,16-18,21,25H,10,12-13,15H2,1-7H3