4-(1,2-dihydrobenzo[e]indol-3-yl)butane-1-sulfonic acid

Systemtic Name: 4-(1,2-dihydrobenzo[e]indol-3-yl)butane-1-sulfonic acid Openeye Name: 4-(1,2-dihydrobenzo[e]indol-3-yl)butane-1-sulfonic acid CAS Name: 4-(1,2-dihydrobenzo[e]indol-3-yl)-1-butanesulfonic acid IUPAC Name: 4-(1,2-dihydrobenzo[e]indol-3-yl)butane-1-sulfonic acid Traditional Name: 4-(1,2-dihydrobenz[e]indol-3-yl)butane-1-sulfonic acid Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)O

Isomeric SMILES

C1CN(C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)O

InChI

InChI=1S/C16H19NO3S/c18-21(19,20)12-4-3-10-17-11-9-15-14-6-2-1-5-13(14)7-8-16(15)17/h1-2,5-8H,3-4,9-12H2,(H,18,19,20)