N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]ethyl]-8-ethoxy-quinoline-5-sulfonamide

Systemtic Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]ethyl]-8-ethoxy-quinoline-5-sulfonamide Openeye Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]ethyl]-8-ethoxy-quinoline-5-sulfonamide CAS Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]ethyl]-8-ethoxy-5-quinolinesulfonamide IUPAC Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]ethyl]-8-ethoxyquinoline-5-sulfonamide Traditional Name: 8-ethoxy-N-[1-(4-piperonyl-1,4-diazepan-1-yl)ethyl]quinoline-5-sulfonamide Formula: C26H32N4O5S MolecularWeight: 512.62108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(C=C1)S(=O)(=O)NC(C)N3CCCN(CC3)CC4=CC5=C(C=C4)OCO5)C=CC=N2

Isomeric SMILES

CCOC1=C2C(=C(C=C1)S(=O)(=O)NC(C)N3CCCN(CC3)CC4=CC5=C(C=C4)OCO5)C=CC=N2

InChI

InChI=1S/C26H32N4O5S/c1-3-33-23-9-10-25(21-6-4-11-27-26(21)23)36(31,32)28-19(2)30-13-5-12-29(14-15-30)17-20-7-8-22-24(16-20)35-18-34-22/h4,6-11,16,19,28H,3,5,12-15,17-18H2,1-2H3