4-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]benzenesulfonic acid

Systemtic Name: 4-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]benzenesulfonic acid Openeye Name: 4-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]benzenesulfonic acid CAS Name: 4-[4-[3-(1-pyrrolidinyl)propyl]-1,4-diazepan-1-yl]benzenesulfonic acid IUPAC Name: 4-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]benzenesulfonic acid Traditional Name: 4-[4-(3-pyrrolidinopropyl)-1,4-diazepan-1-yl]besylic acid Formula: C18H29N3O3S MolecularWeight: 367.50616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCN2CCCN(CC2)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1CCN(C1)CCCN2CCCN(CC2)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C18H29N3O3S/c22-25(23,24)18-7-5-17(6-8-18)21-14-4-13-20(15-16-21)12-3-11-19-9-1-2-10-19/h5-8H,1-4,9-16H2,(H,22,23,24)