N-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propyl]benzenesulfonamide

Systemtic Name: N-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propyl]benzenesulfonamide Openeye Name: N-[3-oxo-3-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]propyl]benzenesulfonamide CAS Name: N-[3-oxo-3-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propyl]benzenesulfonamide IUPAC Name: N-[3-oxo-3-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propyl]benzenesulfonamide Traditional Name: N-[3-keto-3-[4-(2-thenyl)-1,4-diazepan-1-yl]propyl]benzenesulfonamide Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCNS(=O)(=O)C2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCNS(=O)(=O)C2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C19H25N3O3S2/c23-19(9-10-20-27(24,25)18-7-2-1-3-8-18)22-12-5-11-21(13-14-22)16-17-6-4-15-26-17/h1-4,6-8,15,20H,5,9-14,16H2