methyl 2-[[(2Z,7Z)-cycloocta-2,7-dien-1-yl]-(4-methylphenyl)sulfonyl-amino]pent-4-enoate

Systemtic Name: methyl 2-[[(2Z,7Z)-cycloocta-2,7-dien-1-yl]-(4-methylphenyl)sulfonyl-amino]pent-4-enoate Openeye Name: methyl 2-[[(2Z,7Z)-cycloocta-2,7-dien-1-yl]-(p-tolylsulfonyl)amino]pent-4-enoate CAS Name: 2-[[(2Z,7Z)-1-cycloocta-2,7-dienyl]-(4-methylphenyl)sulfonylamino]-4-pentenoic acid methyl ester IUPAC Name: methyl 2-[[(2Z,7Z)-cycloocta-2,7-dien-1-yl]-(4-methylphenyl)sulfonylamino]pent-4-enoate Traditional Name: 2-[[(2Z,7Z)-cycloocta-2,7-dien-1-yl]-tosyl-amino]pent-4-enoic acid methyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2C=CCCCC=C2)C(CC=C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C(C(=O)OC)CC=C)C/2/C=C\CCC/C=C2

InChI

InChI=1S/C21H27NO4S/c1-4-10-20(21(23)26-3)22(18-11-8-6-5-7-9-12-18)27(24,25)19-15-13-17(2)14-16-19/h4,8-9,11-16,18,20H,1,5-7,10H2,2-3H3/b11-8-,12-9-