N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-ethyl-benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-ethyl-benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-ethyl-benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-ethylbenzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-ethylbenzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-ethyl-benzamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C22H28N2O4S/c1-3-17-8-10-18(11-9-17)22(25)23-20-16-19(12-13-21(20)28-2)29(26,27)24-14-6-4-5-7-15-24/h8-13,16H,3-7,14-15H2,1-2H3,(H,23,25)