N-[2-(furan-2-yl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(furan-2-yl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-furyl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(2-furanyl)ethyl]-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(furan-2-yl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(2-furyl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-isonipecotamide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCC4=CC=CO4)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCC4=CC=CO4)N=N1

InChI

InChI=1S/C21H27N5O4S/c1-2-11-26-20-6-5-18(15-19(20)23-24-26)31(28,29)25-12-8-16(9-13-25)21(27)22-10-7-17-4-3-14-30-17/h3-6,14-16H,2,7-13H2,1H3,(H,22,27)