N-[(5-methylfuran-2-yl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=C(O4)C)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=C(O4)C)N=N1

InChI

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