3-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]-1H-indole-5-carboximidamide

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]-1H-indole-5-carboximidamide Openeye Name: 3-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-1H-indole-5-carboxamidine CAS Name: 3-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]-1H-indole-5-carboximidamide IUPAC Name: 3-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-1H-indole-5-carboximidamide Traditional Name: 3-[2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]-1H-indole-5-carboxamidine Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CNC3=C2C=C(C=C3)C(=N)N)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CNC3=C2C=C(C=C3)C(=N)N)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O3S/c23-22(24)17-6-7-20-19(12-17)18(14-25-20)13-21(28)26-8-10-27(11-9-26)31(29,30)15-16-4-2-1-3-5-16/h1-7,12,14,25H,8-11,13,15H2,(H3,23,24)