tert-butyl 4-(4-nitronaphthalen-1-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-nitronaphthalen-1-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(4-nitro-1-naphthyl)-4-piperazin-1-yl-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(4-nitro-1-naphthalenyl)-2-[oxo(3-thiazolidinyl)methyl]-4-(1-piperazinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-nitronaphthalen-1-yl)-4-piperazin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(4-nitro-1-naphthyl)-4-piperazino-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H35N5O5S MolecularWeight: 541.6623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=CC=C(C4=CC=CC=C43)[N+](=O)[O-])N5CCNCC5

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=CC=C(C4=CC=CC=C43)[N+](=O)[O-])N5CCNCC5

InChI

InChI=1S/C27H35N5O5S/c1-26(2,3)37-25(34)31-17-27(30-12-10-28-11-13-30,16-23(31)24(33)29-14-15-38-18-29)21-8-9-22(32(35)36)20-7-5-4-6-19(20)21/h4-9,23,28H,10-18H2,1-3H3