[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [2,5-dimethyl-1-(2-pyridylmethyl)pyrrol-3-yl]-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [2,5-dimethyl-1-(2-pyridinylmethyl)-3-pyrrolyl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: [2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [2,5-dimethyl-1-(2-pyridylmethyl)pyrrol-3-yl]-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=N2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=N2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H24N4O3S2/c1-16-14-19(17(2)25(16)15-18-6-3-4-8-22-18)21(26)23-9-11-24(12-10-23)30(27,28)20-7-5-13-29-20/h3-8,13-14H,9-12,15H2,1-2H3