(E)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-1-[4-(2-naphthylsulfonyl)piperazino]prop-2-en-1-one Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H26N4O3S/c32-27(13-10-23-19-28-30(21-23)20-22-6-2-1-3-7-22)29-14-16-31(17-15-29)35(33,34)26-12-11-24-8-4-5-9-25(24)18-26/h1-13,18-19,21H,14-17,20H2/b13-10+