N2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-N1,N1-dimethyl-4-piperidin-1-ylsulfonyl-benzene-1,2-diamine

Systemtic Name: N2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-N1,N1-dimethyl-4-piperidin-1-ylsulfonyl-benzene-1,2-diamine Openeye Name: N2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-N1,N1-dimethyl-4-(1-piperidylsulfonyl)benzene-1,2-diamine CAS Name: N2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-N1,N1-dimethyl-4-(1-piperidinylsulfonyl)benzene-1,2-diamine IUPAC Name: 2-N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-N,1-N-dimethyl-4-piperidin-1-ylsulfonylbenzene-1,2-diamine Traditional Name: [2-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]-4-piperidinosulfonyl-phenyl]-dimethyl-amine Formula: C21H26BrN3O4S MolecularWeight: 496.41784

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C21H26BrN3O4S/c1-24(2)19-7-6-16(30(26,27)25-8-4-3-5-9-25)11-18(19)23-13-15-10-20-21(12-17(15)22)29-14-28-20/h6-7,10-12,23H,3-5,8-9,13-14H2,1-2H3