2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[6-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzotriazol-1-yl]oxy-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[6-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-1-benzotriazolyl]oxy]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-1-pyrrolidin-1-ylethanone Traditional Name: 2-[6-[(3S)-3-methylpiperidino]sulfonylbenzotriazol-1-yl]oxy-1-pyrrolidino-ethanone Formula: C18H25N5O4S MolecularWeight: 407.4872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)N4CCCC4

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)N4CCCC4

InChI

InChI=1S/C18H25N5O4S/c1-14-5-4-10-22(12-14)28(25,26)15-6-7-16-17(11-15)23(20-19-16)27-13-18(24)21-8-2-3-9-21/h6-7,11,14H,2-5,8-10,12-13H2,1H3/t14-/m0/s1