N,N,4-trimethyl-3-[2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]benzenesulfonamide

Systemtic Name: N,N,4-trimethyl-3-[2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]benzenesulfonamide Openeye Name: N,N,4-trimethyl-3-[2-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]benzenesulfonamide CAS Name: N,N,4-trimethyl-3-[2-[[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]benzenesulfonamide IUPAC Name: N,N,4-trimethyl-3-[2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzenesulfonamide Traditional Name: 3-[4-keto-2-[[2-keto-2-[(2S)-2-methylpiperidino]ethyl]thio]quinazolin-3-yl]-N,N,4-trimethyl-benzenesulfonamide Formula: C25H30N4O4S2 MolecularWeight: 514.6601

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC(=C4)S(=O)(=O)N(C)C)C

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC(=C4)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C25H30N4O4S2/c1-17-12-13-19(35(32,33)27(3)4)15-22(17)29-24(31)20-10-5-6-11-21(20)26-25(29)34-16-23(30)28-14-8-7-9-18(28)2/h5-6,10-13,15,18H,7-9,14,16H2,1-4H3/t18-/m0/s1