N-(3-methylbutyl)-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(3-methylbutyl)-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-isopentyl-1-(1-isopropylbenzotriazol-5-yl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(3-methylbutyl)-1-[(1-propan-2-yl-5-benzotriazolyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(3-methylbutyl)-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-isoamyl-1-(1-isopropylbenzotriazol-5-yl)sulfonyl-nipecotamide Formula: C20H31N5O3S MolecularWeight: 421.55684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(N=N3)C(C)C

Isomeric SMILES

CC(C)CCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(N=N3)C(C)C

InChI

InChI=1S/C20H31N5O3S/c1-14(2)9-10-21-20(26)16-6-5-11-24(13-16)29(27,28)17-7-8-19-18(12-17)22-23-25(19)15(3)4/h7-8,12,14-16H,5-6,9-11,13H2,1-4H3,(H,21,26)