N-[4-(azepan-1-ylsulfonyl)phenyl]-5-chloranyl-3,6-dimethyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-chloranyl-3,6-dimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-chloro-3,6-dimethyl-benzofuran-2-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-chloro-3,6-dimethyl-2-benzofurancarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-chloro-3,6-dimethyl-coumarilamide Formula: C23H25ClN2O4S MolecularWeight: 460.9736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C(OC2=C1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C(OC2=C1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C)Cl

InChI

InChI=1S/C23H25ClN2O4S/c1-15-13-21-19(14-20(15)24)16(2)22(30-21)23(27)25-17-7-9-18(10-8-17)31(28,29)26-11-5-3-4-6-12-26/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,25,27)