methyl 6-(4-phenylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate

Systemtic Name: methyl 6-(4-phenylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate Openeye Name: methyl 6-(4-phenylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate CAS Name: 6-[(4-phenyl-1-piperazinyl)sulfonyl]-3,4-dihydro-2H-quinoline-1-carboxylic acid methyl ester IUPAC Name: methyl 6-(4-phenylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate Traditional Name: 6-(4-phenylpiperazino)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylic acid methyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N3O4S/c1-28-21(25)24-11-5-6-17-16-19(9-10-20(17)24)29(26,27)23-14-12-22(13-15-23)18-7-3-2-4-8-18/h2-4,7-10,16H,5-6,11-15H2,1H3