1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-N-(3-thienylmethyl)piperidine-4-carboxamide CAS Name: 1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-N-(3-thiophenylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(7-mesyl-4-methyl-quinazolin-2-yl)-N-(3-thenyl)isonipecotamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)C(=O)NCC4=CSC=C4

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)C(=O)NCC4=CSC=C4

InChI

InChI=1S/C21H24N4O3S2/c1-14-18-4-3-17(30(2,27)28)11-19(18)24-21(23-14)25-8-5-16(6-9-25)20(26)22-12-15-7-10-29-13-15/h3-4,7,10-11,13,16H,5-6,8-9,12H2,1-2H3,(H,22,26)