[4-(azepan-1-ylsulfonyl)phenyl]-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-(4-benzhydrylpiperazin-4-ium-1-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-(4-benzhydrylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-(4-benzhydrylpiperazin-4-ium-1-yl)methanone Formula: C30H36N3O3S+ MolecularWeight: 518.69014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H35N3O3S/c34-30(27-15-17-28(18-16-27)37(35,36)33-19-9-1-2-10-20-33)32-23-21-31(22-24-32)29(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-8,11-18,29H,1-2,9-10,19-24H2/p+1