[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone

Systemtic Name: [4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone Openeye Name: [4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-(2,6-dimethyl-3-quinolyl)methanone CAS Name: [4-(3,4-diethoxyphenyl)sulfonyl-1-piperazinyl]-(2,6-dimethyl-3-quinolinyl)methanone IUPAC Name: [4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone Traditional Name: [4-(3,4-diethoxyphenyl)sulfonylpiperazino]-(2,6-dimethyl-3-quinolyl)methanone Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=C4C=CC(=CC4=C3)C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=C4C=CC(=CC4=C3)C)C)OCC

InChI

InChI=1S/C26H31N3O5S/c1-5-33-24-10-8-21(17-25(24)34-6-2)35(31,32)29-13-11-28(12-14-29)26(30)22-16-20-15-18(3)7-9-23(20)27-19(22)4/h7-10,15-17H,5-6,11-14H2,1-4H3