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

Systemtic Name: butyl N-[4-butyl-2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]sulfonylcarbamate Openeye Name: butyl N-[4-butyl-2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]sulfonylcarbamate CAS Name: N-[4-butyl-2-[4-(1-imidazolylmethyl)phenyl]phenyl]sulfonylcarbamic acid butyl ester IUPAC Name: butyl 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 butyl ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4S/c1-3-5-7-20-10-13-24(33(30,31)27-25(29)32-16-6-4-2)23(17-20)22-11-8-21(9-12-22)18-28-15-14-26-19-28/h8-15,17,19H,3-7,16,18H2,1-2H3,(H,27,29)