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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-methoxy-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-methoxy-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-methoxybenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-methoxybenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-methoxy-benzamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O4S/c1-16-7-10-18(22-21(24)17-8-11-19(27-2)12-9-17)15-20(16)28(25,26)23-13-5-3-4-6-14-23/h7-12,15H,3-6,13-14H2,1-2H3,(H,22,24)