N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-morpholin-4-yl-pyridine-2-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-morpholin-4-yl-pyridine-2-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-morpholino-pyridine-2-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-(4-morpholinyl)-2-pyridinecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-morpholin-4-ylpyridine-2-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-morpholino-picolinamide Formula: C23H30N4O5S MolecularWeight: 474.5731

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=NC=CC(=C3)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=NC=CC(=C3)N4CCOCC4

InChI

InChI=1S/C23H30N4O5S/c1-31-22-7-6-19(33(29,30)27-10-4-2-3-5-11-27)17-20(22)25-23(28)21-16-18(8-9-24-21)26-12-14-32-15-13-26/h6-9,16-17H,2-5,10-15H2,1H3,(H,25,28)