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

Systemtic Name: piperidin-1-yl-[1,2,5-trimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-pyrrol-3-yl]methanone Openeye Name: 1-piperidyl-[1,2,5-trimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-pyrrol-3-yl]methanone CAS Name: 1-piperidinyl-[1,2,5-trimethyl-4-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]-3-pyrrolyl]methanone IUPAC Name: piperidin-1-yl-[1,2,5-trimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpyrrol-3-yl]methanone Traditional Name: piperidino-[1,2,5-trimethyl-4-[4-(2-pyrimidyl)piperazino]sulfonyl-pyrrol-3-yl]methanone Formula: C21H30N6O3S MolecularWeight: 446.5663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6O3S/c1-16-18(20(28)25-10-5-4-6-11-25)19(17(2)24(16)3)31(29,30)27-14-12-26(13-15-27)21-22-8-7-9-23-21/h7-9H,4-6,10-15H2,1-3H3