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

Systemtic Name: 1-(furan-2-ylmethyl)-4-[[1-(phenylsulfonyl)pyrrol-2-yl]methyl]-1,4-diazepane Openeye Name: 1-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-4-(2-furylmethyl)-1,4-diazepane CAS Name: 1-[[1-(benzenesulfonyl)-2-pyrrolyl]methyl]-4-(2-furanylmethyl)-1,4-diazepane IUPAC Name: 1-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-4-(furan-2-ylmethyl)-1,4-diazepane Traditional Name: 1-[(1-besylpyrrol-2-yl)methyl]-4-(2-furfuryl)-1,4-diazepane Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=CC=CO2)CC3=CC=CN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CC2=CC=CO2)CC3=CC=CN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H25N3O3S/c25-28(26,21-9-2-1-3-10-21)24-13-4-7-19(24)17-22-11-6-12-23(15-14-22)18-20-8-5-16-27-20/h1-5,7-10,13,16H,6,11-12,14-15,17-18H2