N-[3-(aminomethyl)-4-(2,3-dihydro-1,4-benzoxathiin-6-yloxy)phenyl]methanesulfonamide

Systemtic Name: N-[3-(aminomethyl)-4-(2,3-dihydro-1,4-benzoxathiin-6-yloxy)phenyl]methanesulfonamide Openeye Name: N-[3-(aminomethyl)-4-(2,3-dihydro-1,4-benzoxathiin-6-yloxy)phenyl]methanesulfonamide CAS Name: N-[3-(aminomethyl)-4-(2,3-dihydro-1,4-benzoxathiin-6-yloxy)phenyl]methanesulfonamide IUPAC Name: N-[3-(aminomethyl)-4-(2,3-dihydro-1,4-benzoxathiin-6-yloxy)phenyl]methanesulfonamide Traditional Name: N-[3-(aminomethyl)-4-(2,3-dihydro-1,4-benzoxathiin-6-yloxy)phenyl]methanesulfonamide Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=C(C=C1)OC2=CC3=C(C=C2)OCCS3)CN

Isomeric SMILES

CS(=O)(=O)NC1=CC(=C(C=C1)OC2=CC3=C(C=C2)OCCS3)CN

InChI

InChI=1S/C16H18N2O4S2/c1-24(19,20)18-12-2-4-14(11(8-12)10-17)22-13-3-5-15-16(9-13)23-7-6-21-15/h2-5,8-9,18H,6-7,10,17H2,1H3