N,N-diethyl-3-[5-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[5-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[5-[(3S)-2-oxoazepan-3-yl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-[5-[[(3S)-2-oxo-3-azepanyl]thio]-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[5-[(3S)-2-oxoazepan-3-yl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[5-[[(3S)-2-ketoazepan-3-yl]thio]-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C24H29N5O3S2 MolecularWeight: 499.64876

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SC4CCCCNC4=O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)S[C@H]4CCCCNC4=O

InChI

InChI=1S/C24H29N5O3S2/c1-3-28(4-2)34(31,32)20-14-10-11-18(17-20)22-26-27-24(29(22)19-12-6-5-7-13-19)33-21-15-8-9-16-25-23(21)30/h5-7,10-14,17,21H,3-4,8-9,15-16H2,1-2H3,(H,25,30)/t21-/m0/s1