N-[2-methoxy-5-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-phenyl]ethanamide

Systemtic Name: N-[2-methoxy-5-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-phenyl]ethanamide Openeye Name: N-[2-methoxy-5-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-phenyl]acetamide CAS Name: N-[2-methoxy-5-[[(2R)-2-(4-methoxyphenyl)-1-azepanyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[2-methoxy-5-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[2-methoxy-5-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-phenyl]acetamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2C3=CC=C(C=C3)OC)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC[C@@H]2C3=CC=C(C=C3)OC)OC

InChI

InChI=1S/C22H28N2O5S/c1-16(25)23-20-15-19(12-13-22(20)29-3)30(26,27)24-14-6-4-5-7-21(24)17-8-10-18(28-2)11-9-17/h8-13,15,21H,4-7,14H2,1-3H3,(H,23,25)/t21-/m1/s1