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

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C24H34N4O3S MolecularWeight: 458.61676

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)N4CCCCCC4

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)N4CCCCCC4

InChI

InChI=1S/C24H34N4O3S/c1-26-14-8-9-22(26)23(27-15-4-2-3-5-16-27)19-25-24(29)20-10-12-21(13-11-20)32(30,31)28-17-6-7-18-28/h8-14,23H,2-7,15-19H2,1H3,(H,25,29)