butyl N-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-propyl-thiophen-2-yl]sulfonylcarbamate

Systemtic Name: butyl N-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-propyl-thiophen-2-yl]sulfonylcarbamate Openeye Name: butyl N-[[3-[4-(imidazol-1-ylmethyl)phenyl]-5-propyl-2-thienyl]sulfonyl]carbamate CAS Name: N-[[3-[4-(1-imidazolylmethyl)phenyl]-5-propyl-2-thiophenyl]sulfonyl]carbamic acid butyl ester IUPAC Name: butyl N-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-propylthiophen-2-yl]sulfonylcarbamate Traditional Name: N-[[3-[4-(imidazol-1-ylmethyl)phenyl]-5-propyl-2-thienyl]sulfonyl]carbamic acid butyl ester Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NS(=O)(=O)C1=C(C=C(S1)CCC)C2=CC=C(C=C2)CN3C=CN=C3

Isomeric SMILES

CCCCOC(=O)NS(=O)(=O)C1=C(C=C(S1)CCC)C2=CC=C(C=C2)CN3C=CN=C3

InChI

InChI=1S/C22H27N3O4S2/c1-3-5-13-29-22(26)24-31(27,28)21-20(14-19(30-21)6-4-2)18-9-7-17(8-10-18)15-25-12-11-23-16-25/h7-12,14,16H,3-6,13,15H2,1-2H3,(H,24,26)