N-[1-[[1-(3,4-dichlorophenyl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]quinoline-3-carboxamide

Systemtic Name: N-[1-[[1-(3,4-dichlorophenyl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]quinoline-3-carboxamide Openeye Name: N-[1-[[1-(3,4-dichlorophenyl)sulfonyl-3-oxo-azepan-4-yl]carbamoyl]-2-methyl-propyl]quinoline-3-carboxamide CAS Name: N-[1-[[1-(3,4-dichlorophenyl)sulfonyl-3-oxo-4-azepanyl]amino]-3-methyl-1-oxobutan-2-yl]-3-quinolinecarboxamide IUPAC Name: N-[1-[[1-(3,4-dichlorophenyl)sulfonyl-3-oxoazepan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-3-carboxamide Traditional Name: N-[1-[[1-(3,4-dichlorophenyl)sulfonyl-3-keto-azepan-4-yl]carbamoyl]-2-methyl-propyl]quinoline-3-carboxamide Formula: C27H28Cl2N4O5S MolecularWeight: 591.50602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C27H28Cl2N4O5S/c1-16(2)25(32-26(35)18-12-17-6-3-4-7-22(17)30-14-18)27(36)31-23-8-5-11-33(15-24(23)34)39(37,38)19-9-10-20(28)21(29)13-19/h3-4,6-7,9-10,12-14,16,23,25H,5,8,11,15H2,1-2H3,(H,31,36)(H,32,35)