1-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-4-(dimethoxymethyl)-6-methyl-heptan-4-amine

Systemtic Name: 1-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-4-(dimethoxymethyl)-6-methyl-heptan-4-amine Openeye Name: 1-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-4-(dimethoxymethyl)-6-methyl-heptan-4-amine CAS Name: 1-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-4-(dimethoxymethyl)-6-methyl-4-heptanamine IUPAC Name: 1-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-4-(dimethoxymethyl)-6-methylheptan-4-amine Traditional Name: [1-[3-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]propyl]-1-(dimethoxymethyl)-3-methyl-butyl]amine Formula: C30H38ClNO3S MolecularWeight: 528.14562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(C(OC)OC)N

Isomeric SMILES

CC(C)CC(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(C(OC)OC)N

InChI

InChI=1S/C30H38ClNO3S/c1-22(2)20-30(32,29(33-3)34-4)17-9-12-24-15-16-27(19-28(24)31)36-26-14-8-13-25(18-26)35-21-23-10-6-5-7-11-23/h5-8,10-11,13-16,18-19,22,29H,9,12,17,20-21,32H2,1-4H3