3-[(3S)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 3-[(3S)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-[(3S)-2-keto-3,4-dihydro-1H-quinolin-3-yl]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3CC4=CC=CC=C4NC3=O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC[C@H]3CC4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H25N3O4S/c26-21(12-7-17-15-16-5-1-2-6-20(16)24-22(17)27)23-18-8-10-19(11-9-18)30(28,29)25-13-3-4-14-25/h1-2,5-6,8-11,17H,3-4,7,12-15H2,(H,23,26)(H,24,27)/t17-/m0/s1