2-[1-(1,3-benzothiazol-2-ylsulfonyl)-5-naphthalen-1-yl-indol-3-yl]ethanamine

Systemtic Name: 2-[1-(1,3-benzothiazol-2-ylsulfonyl)-5-naphthalen-1-yl-indol-3-yl]ethanamine Openeye Name: 2-[1-(1,3-benzothiazol-2-ylsulfonyl)-5-(1-naphthyl)indol-3-yl]ethanamine CAS Name: 2-[1-(1,3-benzothiazol-2-ylsulfonyl)-5-(1-naphthalenyl)-3-indolyl]ethanamine IUPAC Name: 2-[1-(1,3-benzothiazol-2-ylsulfonyl)-5-naphthalen-1-ylindol-3-yl]ethanamine Traditional Name: 2-[1-(1,3-benzothiazol-2-ylsulfonyl)-5-(1-naphthyl)indol-3-yl]ethylamine Formula: C27H21N3O2S2 MolecularWeight: 483.60454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=CC4=C(C=C3)N(C=C4CCN)S(=O)(=O)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=CC4=C(C=C3)N(C=C4CCN)S(=O)(=O)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C27H21N3O2S2/c28-15-14-20-17-30(34(31,32)27-29-24-10-3-4-11-26(24)33-27)25-13-12-19(16-23(20)25)22-9-5-7-18-6-1-2-8-21(18)22/h1-13,16-17H,14-15,28H2