2-imidazol-1-yl-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazine

Systemtic Name: 2-imidazol-1-yl-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazine Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)-4-imidazol-1-yl-6-pyrrolidin-1-yl-1,3,5-triazine CAS Name: 2-(1-imidazolyl)-4-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-6-(1-pyrrolidinyl)-1,3,5-triazine IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)-4-imidazol-1-yl-6-pyrrolidin-1-yl-1,3,5-triazine Traditional Name: 2-(4-benzylsulfonylpiperazino)-4-imidazol-1-yl-6-pyrrolidino-s-triazine Formula: C21H26N8O2S MolecularWeight: 454.54854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=N2)N3C=CN=C3)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=N2)N3C=CN=C3)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C21H26N8O2S/c30-32(31,16-18-6-2-1-3-7-18)29-14-12-27(13-15-29)20-23-19(26-9-4-5-10-26)24-21(25-20)28-11-8-22-17-28/h1-3,6-8,11,17H,4-5,9-10,12-16H2