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

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methoxyphenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H29N5O4S/c1-31-20-8-7-18(32(29,30)27-11-4-2-3-5-12-27)17-19(20)21(28)25-13-15-26(16-14-25)22-23-9-6-10-24-22/h6-10,17H,2-5,11-16H2,1H3