N-(3-methylbutyl)-3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanamide

Systemtic Name: N-(3-methylbutyl)-3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanamide Openeye Name: N-isopentyl-3-[N-(p-tolylsulfonyl)anilino]propanamide CAS Name: N-(3-methylbutyl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide IUPAC Name: N-(3-methylbutyl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide Traditional Name: N-isoamyl-3-(N-tosylanilino)propionamide Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S/c1-17(2)13-15-22-21(24)14-16-23(19-7-5-4-6-8-19)27(25,26)20-11-9-18(3)10-12-20/h4-12,17H,13-16H2,1-3H3,(H,22,24)