N-[(5-methylfuran-2-yl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-2-carboxamide

Systemtic Name: N-[(5-methylfuran-2-yl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-2-carboxamide Openeye Name: N-[(5-methyl-2-furyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-2-carboxamide CAS Name: N-[(5-methyl-2-furanyl)methyl]-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-2-piperidinecarboxamide IUPAC Name: N-[(5-methylfuran-2-yl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide Traditional Name: N-[(5-methyl-2-furyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-pipecolinamide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3C(=O)NCC4=CC=C(O4)C)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3C(=O)NCC4=CC=C(O4)C)N=N1

InChI

InChI=1S/C21H27N5O4S/c1-3-11-25-19-10-9-17(13-18(19)23-24-25)31(28,29)26-12-5-4-6-20(26)21(27)22-14-16-8-7-15(2)30-16/h7-10,13,20H,3-6,11-12,14H2,1-2H3,(H,22,27)