N-[(3-chlorophenyl)methyl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-3-piperidinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide Traditional Name: N-(3-chlorobenzyl)-1-(7-mesyl-4-methyl-quinazolin-2-yl)nipecotamide Formula: C23H25ClN4O3S MolecularWeight: 472.9876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCCC(C3)C(=O)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCCC(C3)C(=O)NCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H25ClN4O3S/c1-15-20-9-8-19(32(2,30)31)12-21(20)27-23(26-15)28-10-4-6-17(14-28)22(29)25-13-16-5-3-7-18(24)11-16/h3,5,7-9,11-12,17H,4,6,10,13-14H2,1-2H3,(H,25,29)