2-oxidanylidene-N-[3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propyl]-3H-1,3-benzoxazole-6-sulfonamide

Systemtic Name: 2-oxidanylidene-N-[3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propyl]-3H-1,3-benzoxazole-6-sulfonamide Openeye Name: N-[3-(4-benzylpiperazine-1,4-diium-1-yl)propyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide CAS Name: 2-oxo-N-[3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propyl]-3H-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-[3-(4-benzylpiperazine-1,4-diium-1-yl)propyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide Traditional Name: N-[3-(4-benzylpiperazine-1,4-diium-1-yl)propyl]-2-keto-3H-1,3-benzoxazole-6-sulfonamide Formula: C21H28N4O4S+2 MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CCCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N4O4S/c26-21-23-19-8-7-18(15-20(19)29-21)30(27,28)22-9-4-10-24-11-13-25(14-12-24)16-17-5-2-1-3-6-17/h1-3,5-8,15,22H,4,9-14,16H2,(H,23,26)/p+2