N-butylsulfonyl-3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophene-2-carboxamide

Systemtic Name: N-butylsulfonyl-3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophene-2-carboxamide Openeye Name: N-butylsulfonyl-3-[4-(imidazol-1-ylmethyl)phenyl]-5-isobutyl-thiophene-2-carboxamide CAS Name: N-butylsulfonyl-3-[4-(1-imidazolylmethyl)phenyl]-5-(2-methylpropyl)-2-thiophenecarboxamide IUPAC Name: N-butylsulfonyl-3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophene-2-carboxamide Traditional Name: N-butylsulfonyl-3-[4-(imidazol-1-ylmethyl)phenyl]-5-isobutyl-thiophene-2-carboxamide Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(=O)C1=C(C=C(S1)CC(C)C)C2=CC=C(C=C2)CN3C=CN=C3

Isomeric SMILES

CCCCS(=O)(=O)NC(=O)C1=C(C=C(S1)CC(C)C)C2=CC=C(C=C2)CN3C=CN=C3

InChI

InChI=1S/C23H29N3O3S2/c1-4-5-12-31(28,29)25-23(27)22-21(14-20(30-22)13-17(2)3)19-8-6-18(7-9-19)15-26-11-10-24-16-26/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,25,27)