2-[(4-methylphenyl)sulfonylamino]-N-(3-oxidanylbutyl)-N-phenyl-butanediamide

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-N-(3-oxidanylbutyl)-N-phenyl-butanediamide Openeye Name: N-(3-hydroxybutyl)-N-phenyl-2-(p-tolylsulfonylamino)butanediamide CAS Name: N-(3-hydroxybutyl)-2-[(4-methylphenyl)sulfonylamino]-N-phenylbutanediamide IUPAC Name: N-(3-hydroxybutyl)-2-[(4-methylphenyl)sulfonylamino]-N-phenylbutanediamide Traditional Name: N-(3-hydroxybutyl)-N-phenyl-2-(tosylamino)succinamide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S/c1-15-8-10-18(11-9-15)30(28,29)23-19(14-20(22)26)21(27)24(13-12-16(2)25)17-6-4-3-5-7-17/h3-11,16,19,23,25H,12-14H2,1-2H3,(H2,22,26)