1-[(6-methylpyridin-2-yl)methyl]-4-[[1-(phenylsulfonyl)pyrrol-2-yl]methyl]-1,4-diazepane

Systemtic Name: 1-[(6-methylpyridin-2-yl)methyl]-4-[[1-(phenylsulfonyl)pyrrol-2-yl]methyl]-1,4-diazepane Openeye Name: 1-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[[1-(benzenesulfonyl)-2-pyrrolyl]methyl]-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(1-besylpyrrol-2-yl)methyl]-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=CC=CN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=CC=CN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2S/c1-20-8-5-9-21(24-20)18-25-13-7-14-26(17-16-25)19-22-10-6-15-27(22)30(28,29)23-11-3-2-4-12-23/h2-6,8-12,15H,7,13-14,16-19H2,1H3