4-(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-yl)benzoic acid

Systemtic Name: 4-(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-yl)benzoic acid Openeye Name: 4-[4-(2-naphthylsulfonyl)-1,4-diazepan-1-yl]benzoic acid CAS Name: 4-[4-(2-naphthalenylsulfonyl)-1,4-diazepan-1-yl]benzoic acid IUPAC Name: 4-(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-yl)benzoic acid Traditional Name: 4-[4-(2-naphthylsulfonyl)-1,4-diazepan-1-yl]benzoic acid Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H22N2O4S/c25-22(26)18-6-9-20(10-7-18)23-12-3-13-24(15-14-23)29(27,28)21-11-8-17-4-1-2-5-19(17)16-21/h1-2,4-11,16H,3,12-15H2,(H,25,26)