1-[[1-(phenylsulfonyl)pyrrol-2-yl]methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[[1-(phenylsulfonyl)pyrrol-2-yl]methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-4-(3-thienylmethyl)-1,4-diazepane CAS Name: 1-[[1-(benzenesulfonyl)-2-pyrrolyl]methyl]-4-(3-thiophenylmethyl)-1,4-diazepane IUPAC Name: 1-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane Traditional Name: 1-[(1-besylpyrrol-2-yl)methyl]-4-(3-thenyl)-1,4-diazepane Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S2/c25-28(26,21-7-2-1-3-8-21)24-12-4-6-20(24)17-23-11-5-10-22(13-14-23)16-19-9-15-27-18-19/h1-4,6-9,12,15,18H,5,10-11,13-14,16-17H2