(1-ethylbenzotriazol-5-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (1-ethylbenzotriazol-5-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(1-ethylbenzotriazol-5-yl)methanone CAS Name: (1-ethyl-5-benzotriazolyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(1-ethylbenzotriazol-5-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(1-ethylbenzotriazol-5-yl)methanone Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)N=N1

InChI

InChI=1S/C20H23N5O3S/c1-2-25-19-9-8-17(14-18(19)21-22-25)20(26)23-10-12-24(13-11-23)29(27,28)15-16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3