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

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-piperidinosulfonyl-benzamide Formula: C25H36N4O3S MolecularWeight: 472.64334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)N4CCCCCC4

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)N4CCCCCC4

InChI

InChI=1S/C25H36N4O3S/c1-27-15-9-10-23(27)24(28-16-5-2-3-6-17-28)20-26-25(30)21-11-13-22(14-12-21)33(31,32)29-18-7-4-8-19-29/h9-15,24H,2-8,16-20H2,1H3,(H,26,30)