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

Systemtic Name: methyl 3-[(2-methylpropylamino)methyl]-1-(2-propan-2-ylsulfonylpentyl)indole-5-carboxylate Openeye Name: methyl 3-[(isobutylamino)methyl]-1-(2-isopropylsulfonylpentyl)indole-5-carboxylate CAS Name: 3-[(2-methylpropylamino)methyl]-1-(2-propan-2-ylsulfonylpentyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-methylpropylamino)methyl]-1-(2-propan-2-ylsulfonylpentyl)indole-5-carboxylate Traditional Name: 3-[(isobutylamino)methyl]-1-(2-isopropylsulfonylpentyl)indole-5-carboxylic acid methyl ester Formula: C23H36N2O4S MolecularWeight: 436.60794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N2O4S/c1-7-8-20(30(27,28)17(4)5)15-25-14-19(13-24-12-16(2)3)21-11-18(23(26)29-6)9-10-22(21)25/h9-11,14,16-17,20,24H,7-8,12-13,15H2,1-6H3