N-(1,3-benzodioxol-5-yl)-2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(4-brosyl-1,4-diazepan-1-yl)acetamide Formula: C20H22BrN3O5S MolecularWeight: 496.37478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22BrN3O5S/c21-15-2-5-17(6-3-15)30(26,27)24-9-1-8-23(10-11-24)13-20(25)22-16-4-7-18-19(12-16)29-14-28-18/h2-7,12H,1,8-11,13-14H2,(H,22,25)