N-[2-(furan-2-yl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-(furan-2-yl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-(2-furyl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[2-(2-furanyl)ethyl]-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-[2-(furan-2-yl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(2-furyl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-nipecotamide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCCC4=CC=CO4)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCCC4=CC=CO4)N=N1

InChI

InChI=1S/C21H27N5O4S/c1-2-11-26-20-8-7-18(14-19(20)23-24-26)31(28,29)25-12-3-5-16(15-25)21(27)22-10-9-17-6-4-13-30-17/h4,6-8,13-14,16H,2-3,5,9-12,15H2,1H3,(H,22,27)