[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [5-(1-azepanylsulfonyl)-2-chlorophenyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-(4-methylpiperazino)methanone Formula: C18H26ClN3O3S MolecularWeight: 399.93534

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C18H26ClN3O3S/c1-20-10-12-21(13-11-20)18(23)16-14-15(6-7-17(16)19)26(24,25)22-8-4-2-3-5-9-22/h6-7,14H,2-5,8-13H2,1H3