2-[(3-tert-butylphenyl)methylsulfonyl-prop-2-ynyl-amino]-3-oxidanylidene-pentanamide

Systemtic Name: 2-[(3-tert-butylphenyl)methylsulfonyl-prop-2-ynyl-amino]-3-oxidanylidene-pentanamide Openeye Name: 2-[(3-tert-butylphenyl)methylsulfonyl-prop-2-ynyl-amino]-3-oxo-pentanamide CAS Name: 2-[(3-tert-butylphenyl)methylsulfonyl-prop-2-ynylamino]-3-oxopentanamide IUPAC Name: 2-[(3-tert-butylphenyl)methylsulfonyl-prop-2-ynylamino]-3-oxopentanamide Traditional Name: 2-[(3-tert-butylbenzyl)sulfonyl-propargyl-amino]-3-keto-valeramide Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(=O)N)N(CC#C)S(=O)(=O)CC1=CC(=CC=C1)C(C)(C)C

Isomeric SMILES

CCC(=O)C(C(=O)N)N(CC#C)S(=O)(=O)CC1=CC(=CC=C1)C(C)(C)C

InChI

InChI=1S/C19H26N2O4S/c1-6-11-21(17(18(20)23)16(22)7-2)26(24,25)13-14-9-8-10-15(12-14)19(3,4)5/h1,8-10,12,17H,7,11,13H2,2-5H3,(H2,20,23)