2-bromanyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-bromanyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-[3-(2-oxoazepan-1-yl)propyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-bromo-N-[3-(2-oxo-1-azepanyl)propyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-[3-(2-oxoazepan-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-[3-(2-ketoazepan-1-yl)propyl]-5-pyrrolidinosulfonyl-benzamide Formula: C20H28BrN3O4S MolecularWeight: 486.42302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br

InChI

InChI=1S/C20H28BrN3O4S/c21-18-9-8-16(29(27,28)24-13-4-5-14-24)15-17(18)20(26)22-10-6-12-23-11-3-1-2-7-19(23)25/h8-9,15H,1-7,10-14H2,(H,22,26)