3-[4-(2-chloroethylsulfonyl)-2-methoxy-phenyl]propan-1-amine

Systemtic Name: 3-[4-(2-chloroethylsulfonyl)-2-methoxy-phenyl]propan-1-amine Openeye Name: 3-[4-(2-chloroethylsulfonyl)-2-methoxy-phenyl]propan-1-amine CAS Name: 3-[4-(2-chloroethylsulfonyl)-2-methoxyphenyl]-1-propanamine IUPAC Name: 3-[4-(2-chloroethylsulfonyl)-2-methoxyphenyl]propan-1-amine Traditional Name: 3-[4-(2-chloroethylsulfonyl)-2-methoxy-phenyl]propylamine Formula: C12H18ClNO3S MolecularWeight: 291.79422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)CCCl)CCCN

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)CCCl)CCCN

InChI

InChI=1S/C12H18ClNO3S/c1-17-12-9-11(18(15,16)8-6-13)5-4-10(12)3-2-7-14/h4-5,9H,2-3,6-8,14H2,1H3