butylbenzene; 1-[2-methoxy-5-(sulfinoamino)phenyl]-4-methyl-piperazine

Systemtic Name: butylbenzene; 1-[2-methoxy-5-(sulfinoamino)phenyl]-4-methyl-piperazine Openeye Name: butylbenzene; 1-[2-methoxy-5-(sulfinoamino)phenyl]-4-methyl-piperazine CAS Name: butylbenzene; 1-[2-methoxy-5-(sulfinoamino)phenyl]-4-methylpiperazine IUPAC Name: butylbenzene; 1-[2-methoxy-5-(sulfinoamino)phenyl]-4-methylpiperazine Traditional Name: butylbenzene; 1-[2-methoxy-5-(sulfinoamino)phenyl]-4-methyl-piperazine Formula: C22H33N3O3S MolecularWeight: 419.58072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1.CN1CCN(CC1)C2=C(C=CC(=C2)NS(=O)O)OC

Isomeric SMILES

CCCCC1=CC=CC=C1.CN1CCN(CC1)C2=C(C=CC(=C2)NS(=O)O)OC

InChI

InChI=1S/C12H19N3O3S.C10H14/c1-14-5-7-15(8-6-14)11-9-10(13-19(16)17)3-4-12(11)18-2;1-2-3-7-10-8-5-4-6-9-10/h3-4,9,13H,5-8H2,1-2H3,(H,16,17);4-6,8-9H,2-3,7H2,1H3