2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(3-fluorophenyl)acetamide CAS Name: 2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(3-fluorophenyl)acetamide Formula: C21H26FN3O4S MolecularWeight: 435.512243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H26FN3O4S/c1-29-20-10-9-18(30(27,28)25-11-4-2-3-5-12-25)14-19(20)23-15-21(26)24-17-8-6-7-16(22)13-17/h6-10,13-14,23H,2-5,11-12,15H2,1H3,(H,24,26)