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

Systemtic Name: 1-[(1-methylimidazol-2-yl)methyl]-4-[[1-(phenylsulfonyl)pyrrol-2-yl]methyl]-1,4-diazepane Openeye Name: 1-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane CAS Name: 1-[[1-(benzenesulfonyl)-2-pyrrolyl]methyl]-4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane IUPAC Name: 1-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(1-besylpyrrol-2-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)CC3=CC=CN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)CC3=CC=CN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H27N5O2S/c1-23-14-10-22-21(23)18-25-12-6-11-24(15-16-25)17-19-7-5-13-26(19)29(27,28)20-8-3-2-4-9-20/h2-5,7-10,13-14H,6,11-12,15-18H2,1H3