N-[4-methoxy-3-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonyl-phenyl]ethanamide

Systemtic Name: N-[4-methoxy-3-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonyl-phenyl]ethanamide Openeye Name: N-[4-methoxy-3-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonyl-phenyl]acetamide CAS Name: N-[4-methoxy-3-[[(2R)-2-(1-methyl-2-pyrrolyl)-1-azepanyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-methoxy-3-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-methoxy-3-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonyl-phenyl]acetamide Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2C3=CC=CN3C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCC[C@@H]2C3=CC=CN3C

InChI

InChI=1S/C20H27N3O4S/c1-15(24)21-16-10-11-19(27-3)20(14-16)28(25,26)23-13-6-4-5-8-18(23)17-9-7-12-22(17)2/h7,9-12,14,18H,4-6,8,13H2,1-3H3,(H,21,24)/t18-/m1/s1