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

Systemtic Name: butyl N-[4-butoxy-2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]sulfonylcarbamate Openeye Name: butyl N-[4-butoxy-2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]sulfonylcarbamate CAS Name: N-[4-butoxy-2-[4-(1-imidazolylmethyl)phenyl]phenyl]sulfonylcarbamic acid butyl ester IUPAC Name: butyl N-[4-butoxy-2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]sulfonylcarbamate Traditional Name: N-[4-butoxy-2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]sulfonylcarbamic acid butyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)S(=O)(=O)NC(=O)OCCCC)C2=CC=C(C=C2)CN3C=CN=C3

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)S(=O)(=O)NC(=O)OCCCC)C2=CC=C(C=C2)CN3C=CN=C3

InChI

InChI=1S/C25H31N3O5S/c1-3-5-15-32-22-11-12-24(34(30,31)27-25(29)33-16-6-4-2)23(17-22)21-9-7-20(8-10-21)18-28-14-13-26-19-28/h7-14,17,19H,3-6,15-16,18H2,1-2H3,(H,27,29)