sodium (5-bromanyl-2-methoxy-phenyl)sulfonyl-[(E)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoyl]azanide

Systemtic Name: sodium (5-bromanyl-2-methoxy-phenyl)sulfonyl-[(E)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoyl]azanide Openeye Name: sodium (5-bromo-2-methoxy-phenyl)sulfonyl-[(E)-3-[2-(2-naphthylmethyl)phenyl]prop-2-enoyl]azanide CAS Name: sodium (5-bromo-2-methoxyphenyl)sulfonyl-[(E)-3-[2-(2-naphthalenylmethyl)phenyl]-1-oxoprop-2-enyl]azanide IUPAC Name: sodium (5-bromo-2-methoxyphenyl)sulfonyl-[(E)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoyl]azanide Traditional Name: sodium (5-bromo-2-methoxy-phenyl)sulfonyl-[(E)-3-[2-(2-naphthylmethyl)phenyl]acryloyl]azanide Formula: C27H21BrNNaO4S MolecularWeight: 558.41871

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)[N-]C(=O)C=CC2=CC=CC=C2CC3=CC4=CC=CC=C4C=C3.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)[N-]C(=O)/C=C/C2=CC=CC=C2CC3=CC4=CC=CC=C4C=C3.[Na+]

InChI

InChI=1S/C27H22BrNO4S.Na/c1-33-25-14-13-24(28)18-26(25)34(31,32)29-27(30)15-12-21-7-3-5-9-23(21)17-19-10-11-20-6-2-4-8-22(20)16-19;/h2-16,18H,17H2,1H3,(H,29,30);/q;+1/p-1/b15-12+;