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

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-(4-ethylpiperazin-1-yl)methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-(4-ethylpiperazin-1-yl)methanone CAS Name: [5-(1-azepanylsulfonyl)-2-chlorophenyl]-(4-ethyl-1-piperazinyl)methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-(4-ethylpiperazin-1-yl)methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-(4-ethylpiperazino)methanone Formula: C19H28ClN3O3S MolecularWeight: 413.96192

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C19H28ClN3O3S/c1-2-21-11-13-22(14-12-21)19(24)17-15-16(7-8-18(17)20)27(25,26)23-9-5-3-4-6-10-23/h7-8,15H,2-6,9-14H2,1H3