[4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [4-(2,5-dimethyl-1-pyrrolyl)phenyl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

InChI

InChI=1S/C21H23N3O3S2/c1-16-5-6-17(2)24(16)19-9-7-18(8-10-19)21(25)22-11-13-23(14-12-22)29(26,27)20-4-3-15-28-20/h3-10,15H,11-14H2,1-2H3