N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C29H23N3O3S2 MolecularWeight: 525.64122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C29H23N3O3S2/c33-28(30-24-9-5-8-22(18-24)29-31-26-10-3-4-11-27(26)36-29)21-12-14-25(15-13-21)37(34,35)32-17-16-20-6-1-2-7-23(20)19-32/h1-15,18H,16-17,19H2,(H,30,33)