azepan-1-yl-[1-(1-propylbenzotriazol-5-yl)sulfonylpiperidin-3-yl]methanone

Systemtic Name: azepan-1-yl-[1-(1-propylbenzotriazol-5-yl)sulfonylpiperidin-3-yl]methanone Openeye Name: azepan-1-yl-[1-(1-propylbenzotriazol-5-yl)sulfonyl-3-piperidyl]methanone CAS Name: 1-azepanyl-[1-[(1-propyl-5-benzotriazolyl)sulfonyl]-3-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(1-propylbenzotriazol-5-yl)sulfonylpiperidin-3-yl]methanone Traditional Name: azepan-1-yl-[1-(1-propylbenzotriazol-5-yl)sulfonyl-3-piperidyl]methanone Formula: C21H31N5O3S MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)N4CCCCCC4)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)N4CCCCCC4)N=N1

InChI

InChI=1S/C21H31N5O3S/c1-2-11-26-20-10-9-18(15-19(20)22-23-26)30(28,29)25-14-7-8-17(16-25)21(27)24-12-5-3-4-6-13-24/h9-10,15,17H,2-8,11-14,16H2,1H3