N-butyl-3-[[3-(butylamino)-3-oxidanylidene-propyl]-(4-methylphenyl)sulfonyl-amino]propanamide

Systemtic Name: N-butyl-3-[[3-(butylamino)-3-oxidanylidene-propyl]-(4-methylphenyl)sulfonyl-amino]propanamide Openeye Name: N-butyl-3-[[3-(butylamino)-3-oxo-propyl]-(p-tolylsulfonyl)amino]propanamide CAS Name: N-butyl-3-[[3-(butylamino)-3-oxopropyl]-(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: N-butyl-3-[[3-(butylamino)-3-oxopropyl]-(4-methylphenyl)sulfonylamino]propanamide Traditional Name: N-butyl-3-[[3-(butylamino)-3-keto-propyl]-tosyl-amino]propionamide Formula: C21H35N3O4S MolecularWeight: 425.5853

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCN(CCC(=O)NCCCC)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCNC(=O)CCN(CCC(=O)NCCCC)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C21H35N3O4S/c1-4-6-14-22-20(25)12-16-24(17-13-21(26)23-15-7-5-2)29(27,28)19-10-8-18(3)9-11-19/h8-11H,4-7,12-17H2,1-3H3,(H,22,25)(H,23,26)