N-(5-tert-butyl-2-methyl-phenyl)sulfonyl-3-[(phenylmethyl)carbamoylamino]propanamide

Systemtic Name: N-(5-tert-butyl-2-methyl-phenyl)sulfonyl-3-[(phenylmethyl)carbamoylamino]propanamide Openeye Name: 3-(benzylcarbamoylamino)-N-(5-tert-butyl-2-methyl-phenyl)sulfonyl-propanamide CAS Name: N-(5-tert-butyl-2-methylphenyl)sulfonyl-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propanamide IUPAC Name: 3-(benzylcarbamoylamino)-N-(5-tert-butyl-2-methylphenyl)sulfonylpropanamide Traditional Name: 3-(benzylcarbamoylamino)-N-(5-tert-butyl-2-methyl-phenyl)sulfonyl-propionamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC(=O)CCNC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC(=O)CCNC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C22H29N3O4S/c1-16-10-11-18(22(2,3)4)14-19(16)30(28,29)25-20(26)12-13-23-21(27)24-15-17-8-6-5-7-9-17/h5-11,14H,12-13,15H2,1-4H3,(H,25,26)(H2,23,24,27)