(2S)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2S)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2S)-2-[(2-methyl-4-quinazolinyl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-[(2-methylquinazolin-4-yl)thio]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)S[C@@H](C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H24N4O3S2/c1-15(30-22-19-7-3-4-8-20(19)23-16(2)24-22)21(27)25-17-9-11-18(12-10-17)31(28,29)26-13-5-6-14-26/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,25,27)/t15-/m0/s1