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

Systemtic Name: methyl 3-[(2-methylpropylamino)methyl]-1-(2-propan-2-ylsulfonylpropyl)indole-5-carboxylate Openeye Name: methyl 3-[(isobutylamino)methyl]-1-(2-isopropylsulfonylpropyl)indole-5-carboxylate CAS Name: 3-[(2-methylpropylamino)methyl]-1-(2-propan-2-ylsulfonylpropyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-methylpropylamino)methyl]-1-(2-propan-2-ylsulfonylpropyl)indole-5-carboxylate Traditional Name: 3-[(isobutylamino)methyl]-1-(2-isopropylsulfonylpropyl)indole-5-carboxylic acid methyl ester Formula: C21H32N2O4S MolecularWeight: 408.55478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(C)S(=O)(=O)C(C)C

Isomeric SMILES

CC(C)CNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(C)S(=O)(=O)C(C)C

InChI

InChI=1S/C21H32N2O4S/c1-14(2)10-22-11-18-13-23(12-16(5)28(25,26)15(3)4)20-8-7-17(9-19(18)20)21(24)27-6/h7-9,13-16,22H,10-12H2,1-6H3