(3-nitrophenyl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (3-nitrophenyl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone Openeye Name: (3-nitrophenyl)-(4-tetralin-6-ylsulfonylpiperazin-1-yl)methanone CAS Name: (3-nitrophenyl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]methanone IUPAC Name: (3-nitrophenyl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone Traditional Name: (3-nitrophenyl)-(4-tetralin-6-ylsulfonylpiperazino)methanone Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5S/c25-21(18-6-3-7-19(14-18)24(26)27)22-10-12-23(13-11-22)30(28,29)20-9-8-16-4-1-2-5-17(16)15-20/h3,6-9,14-15H,1-2,4-5,10-13H2