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

Systemtic Name: piperidin-1-yl-[1,2,5-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-pyrrol-3-yl]methanone Openeye Name: 1-piperidyl-[1,2,5-trimethyl-4-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-pyrrol-3-yl]methanone CAS Name: 1-piperidinyl-[1,2,5-trimethyl-4-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]-3-pyrrolyl]methanone IUPAC Name: piperidin-1-yl-[1,2,5-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpyrrol-3-yl]methanone Traditional Name: piperidino-[1,2,5-trimethyl-4-[4-(2-pyridyl)piperazino]sulfonyl-pyrrol-3-yl]methanone Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3)C(=O)N4CCCCC4

InChI

InChI=1S/C22H31N5O3S/c1-17-20(22(28)26-11-7-4-8-12-26)21(18(2)24(17)3)31(29,30)27-15-13-25(14-16-27)19-9-5-6-10-23-19/h5-6,9-10H,4,7-8,11-16H2,1-3H3