4-[2-[1-[[2,5-bis(fluoranyl)phenyl]-(4-chlorophenyl)sulfonyl-amino]ethyl]phenoxy]-N-(pyridin-3-ylmethyl)butanamide hydrochloride

Systemtic Name: 4-[2-[1-[[2,5-bis(fluoranyl)phenyl]-(4-chlorophenyl)sulfonyl-amino]ethyl]phenoxy]-N-(pyridin-3-ylmethyl)butanamide hydrochloride Openeye Name: 4-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoro-anilino)ethyl]phenoxy]-N-(3-pyridylmethyl)butanamide hydrochloride CAS Name: 4-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]phenoxy]-N-(3-pyridinylmethyl)butanamide hydrochloride IUPAC Name: 4-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]phenoxy]-N-(pyridin-3-ylmethyl)butanamide hydrochloride Traditional Name: 4-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoro-anilino)ethyl]phenoxy]-N-(3-pyridylmethyl)butyramide hydrochloride Formula: C30H29Cl2F2N3O4S MolecularWeight: 636.536766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OCCCC(=O)NCC2=CN=CC=C2)N(C3=C(C=CC(=C3)F)F)S(=O)(=O)C4=CC=C(C=C4)Cl.Cl

Isomeric SMILES

CC(C1=CC=CC=C1OCCCC(=O)NCC2=CN=CC=C2)N(C3=C(C=CC(=C3)F)F)S(=O)(=O)C4=CC=C(C=C4)Cl.Cl

InChI

InChI=1S/C30H28ClF2N3O4S.ClH/c1-21(36(28-18-24(32)12-15-27(28)33)41(38,39)25-13-10-23(31)11-14-25)26-7-2-3-8-29(26)40-17-5-9-30(37)35-20-22-6-4-16-34-19-22;/h2-4,6-8,10-16,18-19,21H,5,9,17,20H2,1H3,(H,35,37);1H