(4-benzamidophenyl)sulfonyl-[3-(butylamino)-3-oxidanylidene-propyl]carbamic acid

Systemtic Name: (4-benzamidophenyl)sulfonyl-[3-(butylamino)-3-oxidanylidene-propyl]carbamic acid Openeye Name: (4-benzamidophenyl)sulfonyl-[3-(butylamino)-3-oxo-propyl]carbamic acid CAS Name: (4-benzamidophenyl)sulfonyl-[3-(butylamino)-3-oxopropyl]carbamic acid IUPAC Name: (4-benzamidophenyl)sulfonyl-[3-(butylamino)-3-oxopropyl]carbamic acid Traditional Name: (4-benzamidophenyl)sulfonyl-[3-(butylamino)-3-keto-propyl]carbamic acid Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCN(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)CCN(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H25N3O6S/c1-2-3-14-22-19(25)13-15-24(21(27)28)31(29,30)18-11-9-17(10-12-18)23-20(26)16-7-5-4-6-8-16/h4-12H,2-3,13-15H2,1H3,(H,22,25)(H,23,26)(H,27,28)