3-[1-(3,3-dimethylbutyl)-2,3,4,7-tetrahydroazepin-5-yl]-1-naphthalen-2-ylsulfonyl-indole

Systemtic Name: 3-[1-(3,3-dimethylbutyl)-2,3,4,7-tetrahydroazepin-5-yl]-1-naphthalen-2-ylsulfonyl-indole Openeye Name: 3-[1-(3,3-dimethylbutyl)-2,3,4,7-tetrahydroazepin-5-yl]-1-(2-naphthylsulfonyl)indole CAS Name: 3-[1-(3,3-dimethylbutyl)-2,3,4,7-tetrahydroazepin-5-yl]-1-(2-naphthalenylsulfonyl)indole IUPAC Name: 3-[1-(3,3-dimethylbutyl)-2,3,4,7-tetrahydroazepin-5-yl]-1-naphthalen-2-ylsulfonylindole Traditional Name: 3-[1-(3,3-dimethylbutyl)-2,3,4,7-tetrahydroazepin-5-yl]-1-(2-naphthylsulfonyl)indole Formula: C30H34N2O2S MolecularWeight: 486.66816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCN1CCCC(=CC1)C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)(C)CCN1CCCC(=CC1)C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C30H34N2O2S/c1-30(2,3)17-20-31-18-8-11-24(16-19-31)28-22-32(29-13-7-6-12-27(28)29)35(33,34)26-15-14-23-9-4-5-10-25(23)21-26/h4-7,9-10,12-16,21-22H,8,11,17-20H2,1-3H3