6-[methyl-[2-phenyldiazenyl-5-(phenylsulfonyl)phenyl]amino]hexyl prop-2-enoate

Systemtic Name: 6-[methyl-[2-phenyldiazenyl-5-(phenylsulfonyl)phenyl]amino]hexyl prop-2-enoate Openeye Name: 6-[5-(benzenesulfonyl)-N-methyl-2-phenylazo-anilino]hexyl prop-2-enoate CAS Name: 2-propenoic acid 6-[5-(benzenesulfonyl)-N-methyl-2-phenyldiazenylanilino]hexyl ester IUPAC Name: 6-[5-(benzenesulfonyl)-N-methyl-2-phenyldiazenylanilino]hexyl prop-2-enoate Traditional Name: acrylic acid 6-(5-besyl-N-methyl-2-phenylazo-anilino)hexyl ester Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCOC(=O)C=C)C1=C(C=CC(=C1)S(=O)(=O)C2=CC=CC=C2)N=NC3=CC=CC=C3

Isomeric SMILES

CN(CCCCCCOC(=O)C=C)C1=C(C=CC(=C1)S(=O)(=O)C2=CC=CC=C2)N=NC3=CC=CC=C3

InChI

InChI=1S/C28H31N3O4S/c1-3-28(32)35-21-13-5-4-12-20-31(2)27-22-25(36(33,34)24-16-10-7-11-17-24)18-19-26(27)30-29-23-14-8-6-9-15-23/h3,6-11,14-19,22H,1,4-5,12-13,20-21H2,2H3