1-[[1-(phenylsulfonyl)pyrrol-2-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[[1-(phenylsulfonyl)pyrrol-2-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-4-(3-pyridylmethyl)-1,4-diazepane CAS Name: 1-[[1-(benzenesulfonyl)-2-pyrrolyl]methyl]-4-(3-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Traditional Name: 1-[(1-besylpyrrol-2-yl)methyl]-4-(3-pyridylmethyl)-1,4-diazepane Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=CC=CN2S(=O)(=O)C3=CC=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CC2=CC=CN2S(=O)(=O)C3=CC=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C22H26N4O2S/c27-29(28,22-9-2-1-3-10-22)26-14-5-8-21(26)19-25-13-6-12-24(15-16-25)18-20-7-4-11-23-17-20/h1-5,7-11,14,17H,6,12-13,15-16,18-19H2