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

Systemtic Name: 1-[[1-(phenylsulfonyl)pyrrol-2-yl]methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane Openeye Name: 1-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-4-(4-pyridylmethyl)-1,4-diazepane CAS Name: 1-[[1-(benzenesulfonyl)-2-pyrrolyl]methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane IUPAC Name: 1-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane Traditional Name: 1-[(1-besylpyrrol-2-yl)methyl]-4-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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