methyl 1-(4-methyl-2-propan-2-ylsulfonyl-pentyl)-3-(propylaminomethyl)indole-5-carboxylate

Systemtic Name: methyl 1-(4-methyl-2-propan-2-ylsulfonyl-pentyl)-3-(propylaminomethyl)indole-5-carboxylate Openeye Name: methyl 1-(2-isopropylsulfonyl-4-methyl-pentyl)-3-(propylaminomethyl)indole-5-carboxylate CAS Name: 1-(4-methyl-2-propan-2-ylsulfonylpentyl)-3-(propylaminomethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-methyl-2-propan-2-ylsulfonylpentyl)-3-(propylaminomethyl)indole-5-carboxylate Traditional Name: 1-(2-isopropylsulfonyl-4-methyl-pentyl)-3-(propylaminomethyl)indole-5-carboxylic acid methyl ester Formula: C23H36N2O4S MolecularWeight: 436.60794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC(C)C)S(=O)(=O)C(C)C

Isomeric SMILES

CCCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC(C)C)S(=O)(=O)C(C)C

InChI

InChI=1S/C23H36N2O4S/c1-7-10-24-13-19-14-25(15-20(11-16(2)3)30(27,28)17(4)5)22-9-8-18(12-21(19)22)23(26)29-6/h8-9,12,14,16-17,20,24H,7,10-11,13,15H2,1-6H3