N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-chlorophenyl)isoxazole-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-(4-chlorophenyl)-3-isoxazolecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-chlorophenyl)isoxazole-3-carboxamide Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NOC(=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NOC(=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3O4S/c23-17-7-5-16(6-8-17)21-15-20(25-30-21)22(27)24-18-9-11-19(12-10-18)31(28,29)26-13-3-1-2-4-14-26/h5-12,15H,1-4,13-14H2,(H,24,27)