[2-(2,5-dimethylpyrrol-1-yl)thiophen-3-yl]-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [2-(2,5-dimethylpyrrol-1-yl)thiophen-3-yl]-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-[2-(2,5-dimethylpyrrol-1-yl)-3-thienyl]methanone CAS Name: [2-(2,5-dimethyl-1-pyrrolyl)-3-thiophenyl]-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-[2-(2,5-dimethylpyrrol-1-yl)thiophen-3-yl]methanone Traditional Name: (4-benzylsulfonylpiperazino)-[2-(2,5-dimethylpyrrol-1-yl)-3-thienyl]methanone Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=CS2)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=CS2)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H25N3O3S2/c1-17-8-9-18(2)25(17)22-20(10-15-29-22)21(26)23-11-13-24(14-12-23)30(27,28)16-19-6-4-3-5-7-19/h3-10,15H,11-14,16H2,1-2H3