6-(azepan-1-ylsulfonyl)-3-(3,5-dimethylpiperidin-1-yl)carbonyl-1-prop-2-enyl-quinolin-4-one

Systemtic Name: 6-(azepan-1-ylsulfonyl)-3-(3,5-dimethylpiperidin-1-yl)carbonyl-1-prop-2-enyl-quinolin-4-one Openeye Name: 1-allyl-6-(azepan-1-ylsulfonyl)-3-(3,5-dimethylpiperidine-1-carbonyl)quinolin-4-one CAS Name: 6-(1-azepanylsulfonyl)-3-[(3,5-dimethyl-1-piperidinyl)-oxomethyl]-1-prop-2-enyl-4-quinolinone IUPAC Name: 6-(azepan-1-ylsulfonyl)-3-(3,5-dimethylpiperidine-1-carbonyl)-1-prop-2-enylquinolin-4-one Traditional Name: 1-allyl-6-(azepan-1-ylsulfonyl)-3-(3,5-dimethylpiperidine-1-carbonyl)-4-quinolone Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCCCCC4)CC=C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCCCCC4)CC=C)C

InChI

InChI=1S/C26H35N3O4S/c1-4-11-27-18-23(26(31)28-16-19(2)14-20(3)17-28)25(30)22-15-21(9-10-24(22)27)34(32,33)29-12-7-5-6-8-13-29/h4,9-10,15,18-20H,1,5-8,11-14,16-17H2,2-3H3