5-(azepan-1-ylsulfonyl)-2-methoxy-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(4-pyridylmethyl)benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methoxy-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(4-pyridylmethyl)benzamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C20H25N3O4S/c1-27-19-7-6-17(28(25,26)23-12-4-2-3-5-13-23)14-18(19)20(24)22-15-16-8-10-21-11-9-16/h6-11,14H,2-5,12-13,15H2,1H3,(H,22,24)