N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[1-(3-bromo-4-methoxy-phenyl)ethyl]-2-methyl-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-methyl-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[1-(3-bromo-4-methoxy-phenyl)ethyl]-2-methyl-5-piperidinosulfonyl-benzamide Formula: C22H27BrN2O4S MolecularWeight: 495.42978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC(C)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC(C)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C22H27BrN2O4S/c1-15-7-9-18(30(27,28)25-11-5-4-6-12-25)14-19(15)22(26)24-16(2)17-8-10-21(29-3)20(23)13-17/h7-10,13-14,16H,4-6,11-12H2,1-3H3,(H,24,26)