4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)benzamide Formula: C26H34N4O3S2 MolecularWeight: 514.70316

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCN(CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H34N4O3S2/c1-3-28(4-2)19-20-30(26-27-23-11-7-8-12-24(23)34-26)25(31)21-13-15-22(16-14-21)35(32,33)29-17-9-5-6-10-18-29/h7-8,11-16H,3-6,9-10,17-20H2,1-2H3