[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H35NO5S MolecularWeight: 485.6355

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H35NO5S/c29-25(27-16-21-13-22(17-27)15-23(14-21)18-27)19-33-26(30)10-7-20-5-8-24(9-6-20)34(31,32)28-11-3-1-2-4-12-28/h5-10,21-23H,1-4,11-19H2