3-(azepan-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2-fluorobenzyl)-4-methoxy-benzamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25FN2O4S/c1-28-19-11-10-16(21(25)23-15-17-8-4-5-9-18(17)22)14-20(19)29(26,27)24-12-6-2-3-7-13-24/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,23,25)