N-(3-chloranyl-4-methyl-phenyl)-1-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-1-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-1-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonyl]nipecotamide Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C)Cl

InChI

InChI=1S/C21H22ClN3O5S/c1-13-5-6-15(10-17(13)22)23-20(26)14-4-3-9-25(12-14)31(28,29)16-7-8-18-19(11-16)30-21(27)24(18)2/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,23,26)