[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2,7-dimethyl-3-quinolyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(2,7-dimethyl-3-quinolinyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(2,7-dimethyl-3-quinolyl)methanone Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C22H30N4O3S/c1-17-7-8-19-16-20(18(2)23-21(19)15-17)22(27)24-11-13-26(14-12-24)30(28,29)25-9-5-3-4-6-10-25/h7-8,15-16H,3-6,9-14H2,1-2H3