[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-methyl-5-morpholinosulfonyl-phenyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-methyl-5-morpholinosulfonyl-phenyl)methanone Formula: C29H34N3O4S+ MolecularWeight: 520.66296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H33N3O4S/c1-23-12-13-26(37(34,35)32-18-20-36-21-19-32)22-27(23)29(33)31-16-14-30(15-17-31)28(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-13,22,28H,14-21H2,1H3/p+1