4-[4-(2-ethoxy-5-propan-2-yl-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(2-ethoxy-5-propan-2-yl-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-[4-(2-ethoxy-5-isopropyl-phenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-1-piperazinyl]-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-[4-(2-ethoxy-5-isopropyl-phenyl)sulfonylpiperazino]-6-pyrrolidino-pyrimidine Formula: C23H33N5O3S MolecularWeight: 459.60482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5O3S/c1-4-31-20-8-7-19(18(2)3)15-21(20)32(29,30)28-13-11-27(12-14-28)23-16-22(24-17-25-23)26-9-5-6-10-26/h7-8,15-18H,4-6,9-14H2,1-3H3