1-[(4-bromophenyl)methoxy]-6-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzotriazole

Systemtic Name: 1-[(4-bromophenyl)methoxy]-6-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzotriazole Openeye Name: 1-[(4-bromophenyl)methoxy]-6-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzotriazole CAS Name: 1-[(4-bromophenyl)methoxy]-6-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzotriazole IUPAC Name: 1-[(4-bromophenyl)methoxy]-6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazole Traditional Name: 1-(4-bromobenzyl)oxy-6-[(3S)-3-methylpiperidino]sulfonyl-benzotriazole Formula: C19H21BrN4O3S MolecularWeight: 465.36404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC4=CC=C(C=C4)Br

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC4=CC=C(C=C4)Br

InChI

InChI=1S/C19H21BrN4O3S/c1-14-3-2-10-23(12-14)28(25,26)17-8-9-18-19(11-17)24(22-21-18)27-13-15-4-6-16(20)7-5-15/h4-9,11,14H,2-3,10,12-13H2,1H3/t14-/m0/s1