N-(3-methylbutyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-methylbutyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-isopentyl-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-methylbutyl)-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(3-methylbutyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-isoamyl-1-(1-propylbenzotriazol-5-yl)sulfonyl-isonipecotamide Formula: C20H31N5O3S MolecularWeight: 421.55684

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCC(C)C)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCC(C)C)N=N1

InChI

InChI=1S/C20H31N5O3S/c1-4-11-25-19-6-5-17(14-18(19)22-23-25)29(27,28)24-12-8-16(9-13-24)20(26)21-10-7-15(2)3/h5-6,14-16H,4,7-13H2,1-3H3,(H,21,26)