3-(azepan-1-ylcarbonyl)-6-(4-methylpiperidin-1-yl)sulfonyl-1H-quinolin-4-one

Systemtic Name: 3-(azepan-1-ylcarbonyl)-6-(4-methylpiperidin-1-yl)sulfonyl-1H-quinolin-4-one Openeye Name: 3-(azepane-1-carbonyl)-6-[(4-methyl-1-piperidyl)sulfonyl]-1H-quinolin-4-one CAS Name: 3-[1-azepanyl(oxo)methyl]-6-[(4-methyl-1-piperidinyl)sulfonyl]-1H-quinolin-4-one IUPAC Name: 3-(azepane-1-carbonyl)-6-(4-methylpiperidin-1-yl)sulfonyl-1H-quinolin-4-one Traditional Name: 3-(azepane-1-carbonyl)-6-(4-methylpiperidino)sulfonyl-4-quinolone Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCCCCC4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H29N3O4S/c1-16-8-12-25(13-9-16)30(28,29)17-6-7-20-18(14-17)21(26)19(15-23-20)22(27)24-10-4-2-3-5-11-24/h6-7,14-16H,2-5,8-13H2,1H3,(H,23,26)