tert-butyl 4-[4-[bis(naphthalen-2-ylsulfonyl)amino]naphthalen-1-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[bis(naphthalen-2-ylsulfonyl)amino]naphthalen-1-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[bis(2-naphthylsulfonyl)amino]-1-naphthyl]piperazine-1-carboxylate CAS Name: 4-[4-[bis(2-naphthalenylsulfonyl)amino]-1-naphthalenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[bis(naphthalen-2-ylsulfonyl)amino]naphthalen-1-yl]piperazine-1-carboxylate Traditional Name: 4-[4-[bis(2-naphthylsulfonyl)amino]-1-naphthyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C39H37N3O6S2 MolecularWeight: 707.85758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C3=CC=CC=C32)N(S(=O)(=O)C4=CC5=CC=CC=C5C=C4)S(=O)(=O)C6=CC7=CC=CC=C7C=C6

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C3=CC=CC=C32)N(S(=O)(=O)C4=CC5=CC=CC=C5C=C4)S(=O)(=O)C6=CC7=CC=CC=C7C=C6

InChI

InChI=1S/C39H37N3O6S2/c1-39(2,3)48-38(43)41-24-22-40(23-25-41)36-20-21-37(35-15-9-8-14-34(35)36)42(49(44,45)32-18-16-28-10-4-6-12-30(28)26-32)50(46,47)33-19-17-29-11-5-7-13-31(29)27-33/h4-21,26-27H,22-25H2,1-3H3