(3S)-N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-1-(2-thienylsulfonyl)nipecotamide Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H22N4O4S2/c1-23(13-17-21-16-8-3-2-7-15(16)19(25)22-17)20(26)14-6-4-10-24(12-14)30(27,28)18-9-5-11-29-18/h2-3,5,7-9,11,14H,4,6,10,12-13H2,1H3,(H,21,22,25)/t14-/m0/s1