N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-2H-benzotriazole-5-carboxamide

Systemtic Name: N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-2H-benzotriazole-5-carboxamide Openeye Name: N-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methyl]-2H-benzotriazole-5-carboxamide CAS Name: N-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]-2H-benzotriazole-5-carboxamide IUPAC Name: N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-2H-benzotriazole-5-carboxamide Traditional Name: N-[(5-pyrrolidinosulfonyl-2-thienyl)methyl]-2H-benzotriazole-5-carboxamide Formula: C16H17N5O3S2 MolecularWeight: 391.46788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC4=NNN=C4C=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC4=NNN=C4C=C3

InChI

InChI=1S/C16H17N5O3S2/c22-16(11-3-5-13-14(9-11)19-20-18-13)17-10-12-4-6-15(25-12)26(23,24)21-7-1-2-8-21/h3-6,9H,1-2,7-8,10H2,(H,17,22)(H,18,19,20)