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

Systemtic Name: 4-[4-(2-chloroethylsulfonyl)-2-methoxy-phenyl]butan-1-amine Openeye Name: 4-[4-(2-chloroethylsulfonyl)-2-methoxy-phenyl]butan-1-amine CAS Name: 4-[4-(2-chloroethylsulfonyl)-2-methoxyphenyl]-1-butanamine IUPAC Name: 4-[4-(2-chloroethylsulfonyl)-2-methoxyphenyl]butan-1-amine Traditional Name: 4-[4-(2-chloroethylsulfonyl)-2-methoxy-phenyl]butylamine Formula: C13H20ClNO3S MolecularWeight: 305.8208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20ClNO3S/c1-18-13-10-12(19(16,17)9-7-14)6-5-11(13)4-2-3-8-15/h5-6,10H,2-4,7-9,15H2,1H3