3-[(4-methylphenyl)sulfonyl-phenyl-amino]-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]propanamide

Systemtic Name: 3-[(4-methylphenyl)sulfonyl-phenyl-amino]-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]propanamide Openeye Name: N-[2-(isopropylamino)-2-oxo-ethyl]-3-[N-(p-tolylsulfonyl)anilino]propanamide CAS Name: 3-(N-(4-methylphenyl)sulfonylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide IUPAC Name: 3-(N-(4-methylphenyl)sulfonylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide Traditional Name: N-[2-(isopropylamino)-2-keto-ethyl]-3-(N-tosylanilino)propionamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCC(=O)NC(C)C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCC(=O)NC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H27N3O4S/c1-16(2)23-21(26)15-22-20(25)13-14-24(18-7-5-4-6-8-18)29(27,28)19-11-9-17(3)10-12-19/h4-12,16H,13-15H2,1-3H3,(H,22,25)(H,23,26)