N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholinosulfonyl-benzamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholinosulfonyl-benzamide Formula: C24H34N4O4S MolecularWeight: 474.61616

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

InChI

InChI=1S/C24H34N4O4S/c1-26-12-6-7-22(26)23(27-13-4-2-3-5-14-27)19-25-24(29)20-8-10-21(11-9-20)33(30,31)28-15-17-32-18-16-28/h6-12,23H,2-5,13-19H2,1H3,(H,25,29)