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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3C(=O)NCC4=CC=CO4)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3C(=O)NCC4=CC=CO4)N=N1

InChI

InChI=1S/C20H25N5O4S/c1-2-10-24-18-9-8-16(13-17(18)22-23-24)30(27,28)25-11-4-3-7-19(25)20(26)21-14-15-6-5-12-29-15/h5-6,8-9,12-13,19H,2-4,7,10-11,14H2,1H3,(H,21,26)