1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-methyl-4-pyrrolidino-phenyl)isonipecotamide Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C26H33N3O5S/c1-19-17-21(28-11-2-3-12-28)5-7-23(19)27-26(30)20-9-13-29(14-10-20)35(31,32)22-6-8-24-25(18-22)34-16-4-15-33-24/h5-8,17-18,20H,2-4,9-16H2,1H3,(H,27,30)