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

Systemtic Name: [2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [2,5-dimethyl-1-(2-pyridylmethyl)pyrrol-3-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [2,5-dimethyl-1-(2-pyridinylmethyl)-3-pyrrolyl]-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [2,5-dimethyl-1-(2-pyridylmethyl)pyrrol-3-yl]-(4-p-phenetylsulfonylpiperazino)methanone Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N(C(=C3)C)CC4=CC=CC=N4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N(C(=C3)C)CC4=CC=CC=N4)C

InChI

InChI=1S/C25H30N4O4S/c1-4-33-22-8-10-23(11-9-22)34(31,32)28-15-13-27(14-16-28)25(30)24-17-19(2)29(20(24)3)18-21-7-5-6-12-26-21/h5-12,17H,4,13-16,18H2,1-3H3