N-[1-[3-bromanyl-2-(phenylmethyl)-4-propan-2-ylsulfonyl-phenyl]-3-oxidanylidene-propyl]methanamide

Systemtic Name: N-[1-[3-bromanyl-2-(phenylmethyl)-4-propan-2-ylsulfonyl-phenyl]-3-oxidanylidene-propyl]methanamide Openeye Name: N-[1-(2-benzyl-3-bromo-4-isopropylsulfonyl-phenyl)-3-oxo-propyl]formamide CAS Name: N-[1-[3-bromo-2-(phenylmethyl)-4-propan-2-ylsulfonylphenyl]-3-oxopropyl]formamide IUPAC Name: N-[1-(2-benzyl-3-bromo-4-propan-2-ylsulfonylphenyl)-3-oxopropyl]formamide Traditional Name: N-[1-(2-benzyl-3-bromo-4-isopropylsulfonyl-phenyl)-3-keto-propyl]formamide Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C(=C(C=C1)C(CC=O)NC=O)CC2=CC=CC=C2)Br

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C(=C(C=C1)C(CC=O)NC=O)CC2=CC=CC=C2)Br

InChI

InChI=1S/C20H22BrNO4S/c1-14(2)27(25,26)19-9-8-16(18(10-11-23)22-13-24)17(20(19)21)12-15-6-4-3-5-7-15/h3-9,11,13-14,18H,10,12H2,1-2H3,(H,22,24)