(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C28H37NO4S MolecularWeight: 483.66268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C)C(C)(C)C

InChI

InChI=1S/C28H37NO4S/c1-21-18-24(28(3,4)5)19-22(2)26(21)20-33-27(30)15-12-23-10-13-25(14-11-23)34(31,32)29-16-8-6-7-9-17-29/h10-15,18-19H,6-9,16-17,20H2,1-5H3