4-(azepan-1-ylsulfonyl)-N-[3-(cyclopropylmethoxy)propyl]-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[3-(cyclopropylmethoxy)propyl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[3-(cyclopropylmethoxy)propyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[3-(cyclopropylmethoxy)propyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[3-(cyclopropylmethoxy)propyl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[3-(cyclopropylmethoxy)propyl]amine Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCOCC3CC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCOCC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C19H29N3O5S/c23-22(24)19-14-17(28(25,26)21-11-3-1-2-4-12-21)8-9-18(19)20-10-5-13-27-15-16-6-7-16/h8-9,14,16,20H,1-7,10-13,15H2