N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[[3-(3,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[[3-(3,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C29H29ClN4O4S2 MolecularWeight: 597.14796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)S(=O)(=O)N5CCCCC5)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)S(=O)(=O)N5CCCCC5)Cl)C

InChI

InChI=1S/C29H29ClN4O4S2/c1-19-10-11-21(16-20(19)2)34-28(36)23-8-4-5-9-25(23)32-29(34)39-18-27(35)31-26-17-22(12-13-24(26)30)40(37,38)33-14-6-3-7-15-33/h4-5,8-13,16-17H,3,6-7,14-15,18H2,1-2H3,(H,31,35)