N-tert-butyl-2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(4-pyrrolidinosulfonylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Formula: C21H34N4O5S2 MolecularWeight: 486.64846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H34N4O5S2/c1-21(2,3)22-20(26)17-23-11-6-14-25(16-15-23)32(29,30)19-9-7-18(8-10-19)31(27,28)24-12-4-5-13-24/h7-10H,4-6,11-17H2,1-3H3,(H,22,26)