N-(2,5-dimethoxyphenyl)-1-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-1-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide Openeye Name: N-(2,5-dimethoxyphenyl)-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide CAS Name: N-(2,5-dimethoxyphenyl)-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(2,5-dimethoxyphenyl)-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide Traditional Name: N-(2,5-dimethoxyphenyl)-1-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]nipecotamide Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4

InChI

InChI=1S/C24H29N3O6S/c1-32-18-8-11-22(33-2)21(14-18)26-24(29)17-6-4-12-27(15-17)34(30,31)19-9-10-20-16(13-19)5-3-7-23(28)25-20/h8-11,13-14,17H,3-7,12,15H2,1-2H3,(H,25,28)(H,26,29)