[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(3-methoxyphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(3-methoxyphenyl)methanone Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H27N3O4S/c1-25-17-8-6-7-16(15-17)18(22)19-11-13-21(14-12-19)26(23,24)20-9-4-2-3-5-10-20/h6-8,15H,2-5,9-14H2,1H3