N-[(5-methylfuran-2-yl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(5-methylfuran-2-yl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[(5-methyl-2-furyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[(5-methyl-2-furanyl)methyl]-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-[(5-methylfuran-2-yl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[(5-methyl-2-furyl)methyl]-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)NCC4=CC=C(O4)C)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CC=C(O4)C)N=N1

InChI

InChI=1S/C21H27N5O4S/c1-3-10-26-20-9-8-18(12-19(20)23-24-26)31(28,29)25-11-4-5-16(14-25)21(27)22-13-17-7-6-15(2)30-17/h6-9,12,16H,3-5,10-11,13-14H2,1-2H3,(H,22,27)