3-methoxy-N-methyl-1-(quinolin-3-ylmethylsulfonyl)butan-2-amine

Systemtic Name: 3-methoxy-N-methyl-1-(quinolin-3-ylmethylsulfonyl)butan-2-amine Openeye Name: 3-methoxy-N-methyl-1-(3-quinolylmethylsulfonyl)butan-2-amine CAS Name: 3-methoxy-N-methyl-1-(3-quinolinylmethylsulfonyl)-2-butanamine IUPAC Name: 3-methoxy-N-methyl-1-(quinolin-3-ylmethylsulfonyl)butan-2-amine Traditional Name: [2-methoxy-1-(3-quinolylmethylsulfonylmethyl)propyl]-methyl-amine Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CS(=O)(=O)CC1=CC2=CC=CC=C2N=C1)NC)OC

Isomeric SMILES

CC(C(CS(=O)(=O)CC1=CC2=CC=CC=C2N=C1)NC)OC

InChI

InChI=1S/C16H22N2O3S/c1-12(21-3)16(17-2)11-22(19,20)10-13-8-14-6-4-5-7-15(14)18-9-13/h4-9,12,16-17H,10-11H2,1-3H3