3-azanyl-4-(1,4-diazepan-1-yl)-N-(3-fluoranyl-2-methoxy-phenyl)benzenesulfonamide

Systemtic Name: 3-azanyl-4-(1,4-diazepan-1-yl)-N-(3-fluoranyl-2-methoxy-phenyl)benzenesulfonamide Openeye Name: 3-amino-4-(1,4-diazepan-1-yl)-N-(3-fluoro-2-methoxy-phenyl)benzenesulfonamide CAS Name: 3-amino-4-(1,4-diazepan-1-yl)-N-(3-fluoro-2-methoxyphenyl)benzenesulfonamide IUPAC Name: 3-amino-4-(1,4-diazepan-1-yl)-N-(3-fluoro-2-methoxyphenyl)benzenesulfonamide Traditional Name: 3-amino-4-(1,4-diazepan-1-yl)-N-(3-fluoro-2-methoxy-phenyl)benzenesulfonamide Formula: C18H23FN4O3S MolecularWeight: 394.463623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1F)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCNCC3)N

Isomeric SMILES

COC1=C(C=CC=C1F)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCNCC3)N

InChI

InChI=1S/C18H23FN4O3S/c1-26-18-14(19)4-2-5-16(18)22-27(24,25)13-6-7-17(15(20)12-13)23-10-3-8-21-9-11-23/h2,4-7,12,21-22H,3,8-11,20H2,1H3