[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]methyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate

Systemtic Name: [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]methyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate Openeye Name: [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]methyl 4-(2-thienylmethylamino)piperidine-1-carboxylate CAS Name: 4-(thiophen-2-ylmethylamino)-1-piperidinecarboxylic acid [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]methyl ester IUPAC Name: [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]methyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate Traditional Name: 4-(2-thenylamino)piperidine-1-carboxylic acid [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]methyl ester Formula: C27H30ClN3O4S2 MolecularWeight: 560.1278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1COC(=O)N3CCC(CC3)NCC4=CC=CS4)S(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC2=CC=CC=C2N(C1COC(=O)N3CCC(CC3)NCC4=CC=CS4)S(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H30ClN3O4S2/c28-21-8-11-25(12-9-21)37(33,34)31-23(10-7-20-4-1-2-6-26(20)31)19-35-27(32)30-15-13-22(14-16-30)29-18-24-5-3-17-36-24/h1-6,8-9,11-12,17,22-23,29H,7,10,13-16,18-19H2