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

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methoxyphenyl]-(4-methylsulfonyl-1-piperazinyl)methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-(4-mesylpiperazino)methanone Formula: C19H29N3O6S2 MolecularWeight: 459.58006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H29N3O6S2/c1-28-18-8-7-16(30(26,27)22-9-5-3-4-6-10-22)15-17(18)19(23)20-11-13-21(14-12-20)29(2,24)25/h7-8,15H,3-6,9-14H2,1-2H3