[2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrrol-3-yl]-piperidin-1-yl-methanone

Systemtic Name: [2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrrol-3-yl]-piperidin-1-yl-methanone Openeye Name: [2,5-dimethyl-4-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-1H-pyrrol-3-yl]-(1-piperidyl)methanone CAS Name: [2,5-dimethyl-4-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]-1H-pyrrol-3-yl]-(1-piperidinyl)methanone IUPAC Name: [2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrrol-3-yl]-piperidin-1-ylmethanone Traditional Name: [2,5-dimethyl-4-[4-(2-pyridyl)piperazino]sulfonyl-1H-pyrrol-3-yl]-piperidino-methanone Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3)C(=O)N4CCCCC4

InChI

InChI=1S/C21H29N5O3S/c1-16-19(21(27)25-10-6-3-7-11-25)20(17(2)23-16)30(28,29)26-14-12-24(13-15-26)18-8-4-5-9-22-18/h4-5,8-9,23H,3,6-7,10-15H2,1-2H3