2-[5-(azepan-1-ylsulfonyl)indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]ethanoic acid Openeye Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]acetic acid CAS Name: 2-[5-(1-azepanylsulfonyl)-1-indolyl]acetic acid IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]acetic acid Traditional Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]acetic acid Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CC(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CC(=O)O

InChI

InChI=1S/C16H20N2O4S/c19-16(20)12-17-10-7-13-11-14(5-6-15(13)17)23(21,22)18-8-3-1-2-4-9-18/h5-7,10-11H,1-4,8-9,12H2,(H,19,20)