N-(2-diethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(2-diethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(2-diethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(2-diethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-besyl-N-(2-diethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C23H28N4O5S2 MolecularWeight: 504.62222

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N4O5S2/c1-3-25(4-2)14-15-26(23-24-20-13-12-18(27(29)30)17-21(20)33-23)22(28)11-8-16-34(31,32)19-9-6-5-7-10-19/h5-7,9-10,12-13,17H,3-4,8,11,14-16H2,1-2H3