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

Systemtic Name: 2-[(3-tert-butylphenyl)methylsulfonyl-prop-2-ynyl-amino]-3-oxidanylidene-heptanamide Openeye Name: 2-[(3-tert-butylphenyl)methylsulfonyl-prop-2-ynyl-amino]-3-oxo-heptanamide CAS Name: 2-[(3-tert-butylphenyl)methylsulfonyl-prop-2-ynylamino]-3-oxoheptanamide IUPAC Name: 2-[(3-tert-butylphenyl)methylsulfonyl-prop-2-ynylamino]-3-oxoheptanamide Traditional Name: 2-[(3-tert-butylbenzyl)sulfonyl-propargyl-amino]-3-keto-enanthamide Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4S/c1-6-8-12-18(24)19(20(22)25)23(13-7-2)28(26,27)15-16-10-9-11-17(14-16)21(3,4)5/h2,9-11,14,19H,6,8,12-13,15H2,1,3-5H3,(H2,22,25)