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

Systemtic Name: 1-[(4-methylsulfonylphenyl)methyl]-4-[[1-(phenylsulfonyl)pyrrol-2-yl]methyl]-1,4-diazepane Openeye Name: 1-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-[[1-(benzenesulfonyl)-2-pyrrolyl]methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(1-besylpyrrol-2-yl)methyl]-4-(4-mesylbenzyl)-1,4-diazepane Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=CN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=CN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H29N3O4S2/c1-32(28,29)23-12-10-21(11-13-23)19-25-14-6-15-26(18-17-25)20-22-7-5-16-27(22)33(30,31)24-8-3-2-4-9-24/h2-5,7-13,16H,6,14-15,17-20H2,1H3