ethyl N-[4-butyl-2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]sulfonylcarbamate

Systemtic Name: ethyl N-[4-butyl-2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]sulfonylcarbamate Openeye Name: ethyl N-[4-butyl-2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]sulfonylcarbamate CAS Name: N-[4-butyl-2-[4-(1-imidazolylmethyl)phenyl]phenyl]sulfonylcarbamic acid ethyl ester IUPAC Name: ethyl N-[4-butyl-2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]sulfonylcarbamate Traditional Name: N-[4-butyl-2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]sulfonylcarbamic acid ethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)S(=O)(=O)NC(=O)OCC)C2=CC=C(C=C2)CN3C=CN=C3

Isomeric SMILES

CCCCC1=CC(=C(C=C1)S(=O)(=O)NC(=O)OCC)C2=CC=C(C=C2)CN3C=CN=C3

InChI

InChI=1S/C23H27N3O4S/c1-3-5-6-18-9-12-22(31(28,29)25-23(27)30-4-2)21(15-18)20-10-7-19(8-11-20)16-26-14-13-24-17-26/h7-15,17H,3-6,16H2,1-2H3,(H,25,27)