4-[[2-(3-azanyl-3-oxidanylidene-propyl)sulfonylethyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropyl-benzamide

Systemtic Name: 4-[[2-(3-azanyl-3-oxidanylidene-propyl)sulfonylethyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropyl-benzamide Openeye Name: 4-[[2-(3-amino-3-oxo-propyl)sulfonylethyl-(2-furylmethyl)amino]methyl]-N-cyclopropyl-benzamide CAS Name: 4-[[2-(3-amino-3-oxopropyl)sulfonylethyl-(2-furanylmethyl)amino]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[[2-(3-amino-3-oxopropyl)sulfonylethyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide Traditional Name: 4-[[2-(3-amino-3-keto-propyl)sulfonylethyl-(2-furfuryl)amino]methyl]-N-cyclopropyl-benzamide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=C(C=C2)CN(CCS(=O)(=O)CCC(=O)N)CC3=CC=CO3

Isomeric SMILES

C1CC1NC(=O)C2=CC=C(C=C2)CN(CCS(=O)(=O)CCC(=O)N)CC3=CC=CO3

InChI

InChI=1S/C21H27N3O5S/c22-20(25)9-12-30(27,28)13-10-24(15-19-2-1-11-29-19)14-16-3-5-17(6-4-16)21(26)23-18-7-8-18/h1-6,11,18H,7-10,12-15H2,(H2,22,25)(H,23,26)