1-[(2-nitrophenyl)methylsulfonyl]-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-[(2-nitrophenyl)methylsulfonyl]-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-[(2-nitrophenyl)methylsulfonyl]-1,4-diazepane CAS Name: 1-[(2-nitrophenyl)methylsulfonyl]-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-[(2-nitrophenyl)methylsulfonyl]-1,4-diazepane Traditional Name: 1-benzyl-4-(2-nitrobenzyl)sulfonyl-1,4-diazepane Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O4S/c23-22(24)19-10-5-4-9-18(19)16-27(25,26)21-12-6-11-20(13-14-21)15-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2