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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCCC4=CC=CO4)N=N1

Isomeric SMILES

CC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCCC4=CC=CO4)N=N1

InChI

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