5-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]isophthalamide Formula: C21H23ClN4O5S MolecularWeight: 478.94912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N)Cl

InChI

InChI=1S/C21H23ClN4O5S/c22-17-6-5-13(12-18(17)32(30,31)26-7-3-1-2-4-8-26)21(29)25-16-10-14(19(23)27)9-15(11-16)20(24)28/h5-6,9-12H,1-4,7-8H2,(H2,23,27)(H2,24,28)(H,25,29)