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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-[(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-[(2-keto-3H-1,3-benzoxazol-6-yl)sulfonyl]nipecotamide Formula: C20H20BrN3O5S MolecularWeight: 494.3589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4)Br

InChI

InChI=1S/C20H20BrN3O5S/c1-12-9-14(4-6-16(12)21)22-19(25)13-3-2-8-24(11-13)30(27,28)15-5-7-17-18(10-15)29-20(26)23-17/h4-7,9-10,13H,2-3,8,11H2,1H3,(H,22,25)(H,23,26)