(3S)-N-(cyclopropylmethyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-N-(phenylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(cyclopropylmethyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-N-(phenylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-N-benzyl-N-(cyclopropylmethyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-3-carboxamide CAS Name: (3S)-N-(cyclopropylmethyl)-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-N-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-benzyl-N-(cyclopropylmethyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-benzyl-N-(cyclopropylmethyl)-1-(7-mesyl-4-methyl-quinazolin-2-yl)nipecotamide Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCCC(C3)C(=O)N(CC4CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC[C@@H](C3)C(=O)N(CC4CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H32N4O3S/c1-19-24-13-12-23(35(2,33)34)15-25(24)29-27(28-19)30-14-6-9-22(18-30)26(32)31(17-21-10-11-21)16-20-7-4-3-5-8-20/h3-5,7-8,12-13,15,21-22H,6,9-11,14,16-18H2,1-2H3/t22-/m0/s1