5-(4-azanyl-2-sulfanyl-phenyl)pentyl 4-methylbenzenesulfonate

Systemtic Name: 5-(4-azanyl-2-sulfanyl-phenyl)pentyl 4-methylbenzenesulfonate Openeye Name: 5-(4-amino-2-sulfanyl-phenyl)pentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-(4-amino-2-mercaptophenyl)pentyl ester IUPAC Name: 5-(4-amino-2-sulfanylphenyl)pentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-(4-amino-2-mercapto-phenyl)pentyl ester Formula: C18H23NO3S2 MolecularWeight: 365.51012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCC2=C(C=C(C=C2)N)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCC2=C(C=C(C=C2)N)S

InChI

InChI=1S/C18H23NO3S2/c1-14-6-10-17(11-7-14)24(20,21)22-12-4-2-3-5-15-8-9-16(19)13-18(15)23/h6-11,13,23H,2-5,12,19H2,1H3