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

Systemtic Name: N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanamide Openeye Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-3-[N-(p-tolylsulfonyl)anilino]propanamide CAS Name: N-[2-(cyclopropylamino)-2-oxoethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide IUPAC Name: N-[2-(cyclopropylamino)-2-oxoethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide Traditional Name: N-[2-(cyclopropylamino)-2-keto-ethyl]-3-(N-tosylanilino)propionamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCC(=O)NC2CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCC(=O)NC2CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c1-16-7-11-19(12-8-16)29(27,28)24(18-5-3-2-4-6-18)14-13-20(25)22-15-21(26)23-17-9-10-17/h2-8,11-12,17H,9-10,13-15H2,1H3,(H,22,25)(H,23,26)