N-[4-(azepan-1-ylsulfonyl)phenyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-(1,1-diketo-1,2-benzothiazol-3-yl)amine Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H21N3O4S2/c23-27(24)18-8-4-3-7-17(18)19(21-27)20-15-9-11-16(12-10-15)28(25,26)22-13-5-1-2-6-14-22/h3-4,7-12H,1-2,5-6,13-14H2,(H,20,21)