4-[5-(methylsulfonylaminomethyl)-1H-indol-3-yl]butane-1-sulfonic acid

Systemtic Name: 4-[5-(methylsulfonylaminomethyl)-1H-indol-3-yl]butane-1-sulfonic acid Openeye Name: 4-[5-(methanesulfonamidomethyl)-1H-indol-3-yl]butane-1-sulfonic acid CAS Name: 4-[5-(methanesulfonamidomethyl)-1H-indol-3-yl]-1-butanesulfonic acid IUPAC Name: 4-[5-(methanesulfonamidomethyl)-1H-indol-3-yl]butane-1-sulfonic acid Traditional Name: 4-[5-(methanesulfonamidomethyl)-1H-indol-3-yl]butane-1-sulfonic acid Formula: C14H20N2O5S2 MolecularWeight: 360.449

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1=CC2=C(C=C1)NC=C2CCCCS(=O)(=O)O

Isomeric SMILES

CS(=O)(=O)NCC1=CC2=C(C=C1)NC=C2CCCCS(=O)(=O)O

InChI

InChI=1S/C14H20N2O5S2/c1-22(17,18)16-9-11-5-6-14-13(8-11)12(10-15-14)4-2-3-7-23(19,20)21/h5-6,8,10,15-16H,2-4,7,9H2,1H3,(H,19,20,21)