5-(azepan-1-ylsulfonyl)-N-[(3-fluorophenyl)methyl]-2-methoxy-aniline

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[(3-fluorophenyl)methyl]-2-methoxy-aniline Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[(3-fluorophenyl)methyl]-2-methoxy-aniline CAS Name: 5-(1-azepanylsulfonyl)-N-[(3-fluorophenyl)methyl]-2-methoxyaniline IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[(3-fluorophenyl)methyl]-2-methoxyaniline Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-(3-fluorobenzyl)amine Formula: C20H25FN2O3S MolecularWeight: 392.487503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC3=CC(=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC3=CC(=CC=C3)F

InChI

InChI=1S/C20H25FN2O3S/c1-26-20-10-9-18(27(24,25)23-11-4-2-3-5-12-23)14-19(20)22-15-16-7-6-8-17(21)13-16/h6-10,13-14,22H,2-5,11-12,15H2,1H3