6-chloranyl-2-[4-(4-pentylphenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole

Systemtic Name: 6-chloranyl-2-[4-(4-pentylphenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole Openeye Name: 6-chloro-2-[4-(4-pentylphenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole CAS Name: 6-chloro-2-[4-(4-pentylphenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole IUPAC Name: 6-chloro-2-[4-(4-pentylphenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-(4-amylphenyl)sulfonyl-1,4-diazepan-1-yl]-6-chloro-1,3-benzothiazole Formula: C23H28ClN3O2S2 MolecularWeight: 478.07032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C23H28ClN3O2S2/c1-2-3-4-6-18-7-10-20(11-8-18)31(28,29)27-14-5-13-26(15-16-27)23-25-21-12-9-19(24)17-22(21)30-23/h7-12,17H,2-6,13-16H2,1H3