N-(furan-2-ylmethyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-furylmethyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-furanylmethyl)-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-furfuryl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-isonipecotamide Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=CO4)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=CO4)N=N1

InChI

InChI=1S/C20H25N5O4S/c1-2-9-25-19-6-5-17(13-18(19)22-23-25)30(27,28)24-10-7-15(8-11-24)20(26)21-14-16-4-3-12-29-16/h3-6,12-13,15H,2,7-11,14H2,1H3,(H,21,26)