N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[4-(2-pyrimidyl)piperazino]acetamide Formula: C23H32N6O4S MolecularWeight: 488.60298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H32N6O4S/c1-33-21-8-7-19(34(31,32)29-11-4-2-3-5-12-29)17-20(21)26-22(30)18-27-13-15-28(16-14-27)23-24-9-6-10-25-23/h6-10,17H,2-5,11-16,18H2,1H3,(H,26,30)