8-tert-butyl-1-(3-nitrophenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine

Systemtic Name: 8-tert-butyl-1-(3-nitrophenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine Openeye Name: 8-tert-butyl-1-(3-nitrophenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine CAS Name: 8-tert-butyl-1-(3-nitrophenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine IUPAC Name: 8-tert-butyl-1-(3-nitrophenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine Traditional Name: 8-tert-butyl-1-(3-nitrophenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(CCCCN2S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C=C1

Isomeric SMILES

CC(C)(C)C1=CC2=C(CCCCN2S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C=C1

InChI

InChI=1S/C20H24N2O4S/c1-20(2,3)16-11-10-15-7-4-5-12-21(19(15)13-16)27(25,26)18-9-6-8-17(14-18)22(23)24/h6,8-11,13-14H,4-5,7,12H2,1-3H3