N-[2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethanoylamino]ethyl]-4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethanoylamino]ethyl]-4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[[2-(4-tert-butyl-2,6-dimethyl-phenyl)acetyl]amino]ethyl]-4-chloro-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)-1-oxoethyl]amino]ethyl]-4-chloro-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[[2-(4-tert-butyl-2,6-dimethyl-phenyl)acetyl]amino]ethyl]-4-chloro-3-pyrrolidinosulfonyl-benzamide Formula: C27H36ClN3O4S MolecularWeight: 534.11044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(=O)NCCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CC(=O)NCCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)C)C(C)(C)C

InChI

InChI=1S/C27H36ClN3O4S/c1-18-14-21(27(3,4)5)15-19(2)22(18)17-25(32)29-10-11-30-26(33)20-8-9-23(28)24(16-20)36(34,35)31-12-6-7-13-31/h8-9,14-16H,6-7,10-13,17H2,1-5H3,(H,29,32)(H,30,33)