[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-(6-ethoxy-3-pyridazinyl)-1-piperazinyl]-[4-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(6-ethoxypyridazin-3-yl)piperazino]-(4-pyrrolidinosulfonylphenyl)methanone Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=NN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H27N5O4S/c1-2-30-20-10-9-19(22-23-20)24-13-15-25(16-14-24)21(27)17-5-7-18(8-6-17)31(28,29)26-11-3-4-12-26/h5-10H,2-4,11-16H2,1H3