N-[2-methoxy-5-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonyl-phenyl]ethanamide

Systemtic Name: N-[2-methoxy-5-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonyl-phenyl]ethanamide Openeye Name: N-[2-methoxy-5-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonyl-phenyl]acetamide CAS Name: N-[2-methoxy-5-[[(2S)-2-(1-methyl-2-pyrrolyl)-1-azepanyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[2-methoxy-5-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[2-methoxy-5-[(2S)-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=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2C3=CC=CN3C)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4S/c1-15(24)21-17-14-16(10-11-20(17)27-3)28(25,26)23-13-6-4-5-8-19(23)18-9-7-12-22(18)2/h7,9-12,14,19H,4-6,8,13H2,1-3H3,(H,21,24)/t19-/m0/s1