N-[2-(azepan-1-yl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-nipecotamide Formula: C23H36N6O3S MolecularWeight: 476.63534

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCCN4CCCCCC4)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCCN4CCCCCC4)N=N1

InChI

InChI=1S/C23H36N6O3S/c1-2-12-29-22-10-9-20(17-21(22)25-26-29)33(31,32)28-15-7-8-19(18-28)23(30)24-11-16-27-13-5-3-4-6-14-27/h9-10,17,19H,2-8,11-16,18H2,1H3,(H,24,30)